CAS RN: 13472-81-6
CAS Name: 3,5-dibromo-1H-pyridin-2-one
OPENEYE Name: 3,5-dibromo-1H-pyridin-2-one
IUPAC Name: 3,5-dibromo-1H-pyridin-2-one
SYSTEMATIC NAME: 3,5-bis(bromanyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C5H3Br2NO
MOLECULAR WEIGHT: 252.89142
SMILES: C1=C(C(=O)NC=C1Br)Br
Structure:
CAS RN: 71902-33-5
CAS Name: 3,5-difluoropyridine
OPENEYE Name: 3,5-difluoropyridine
IUPAC Name: 3,5-difluoropyridine
SYSTEMATIC NAME: 3,5-bis(fluoranyl)pyridine
MOLECULAR FORMULA: C5H3F2N
MOLECULAR WEIGHT: 115.080826
SMILES: C1=C(C=NC=C1F)F
Structure:
CAS RN: 107302-22-7
CAS Name: 1-(3-bromophenyl)pyrrole
OPENEYE Name: 1-(3-bromophenyl)pyrrole
IUPAC Name: 1-(3-bromophenyl)pyrrole
SYSTEMATIC NAME: 1-(3-bromophenyl)pyrrole
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1=CN(C=C1)C2=CC(=CC=C2)Br
Structure:
CAS RN: 39856-58-1
CAS Name: 2-bromo-3-pyridinamine
OPENEYE Name: 2-bromopyridin-3-amine
IUPAC Name: 2-bromopyridin-3-amine
SYSTEMATIC NAME: 2-bromanylpyridin-3-amine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: C1=CC(=C(N=C1)Br)N
Structure:
CAS RN: 5444-93-9
CAS Name: 3-[(E)-2-pyridin-4-ylethenyl]phenol
OPENEYE Name: 3-[(E)-2-(4-pyridyl)vinyl]phenol
IUPAC Name: 3-[(E)-2-pyridin-4-ylethenyl]phenol
SYSTEMATIC NAME: 3-[(E)-2-pyridin-4-ylethenyl]phenol
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C1=CC(=CC(=C1)O)/C=C/C2=CC=NC=C2
Structure:
CAS RN: 13534-97-9
CAS Name: 6-bromo-3-pyridinamine
OPENEYE Name: 6-bromopyridin-3-amine
IUPAC Name: 6-bromopyridin-3-amine
SYSTEMATIC NAME: 6-bromanylpyridin-3-amine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: C1=CC(=NC=C1N)Br
Structure:
CAS RN: 142337-95-9
CAS Name: 3-bromo-5-ethylpyridine
OPENEYE Name: 3-bromo-5-ethyl-pyridine
IUPAC Name: 3-bromo-5-ethylpyridine
SYSTEMATIC NAME: 3-bromanyl-5-ethyl-pyridine
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: CCC1=CC(=CN=C1)Br
Structure:
CAS RN: 2510-22-7
CAS Name: 4-ethynylpyridine
OPENEYE Name: 4-ethynylpyridine
IUPAC Name: 4-ethynylpyridine
SYSTEMATIC NAME: 4-ethynylpyridine
MOLECULAR FORMULA: C7H5N
MOLECULAR WEIGHT: 103.1213
SMILES: C#CC1=CC=NC=C1
Structure:
CAS RN: 56423-63-3
CAS Name: 2-bromopyrazine
OPENEYE Name: 2-bromopyrazine
IUPAC Name: 2-bromopyrazine
SYSTEMATIC NAME: 2-bromanylpyrazine
MOLECULAR FORMULA: C4H3BrN2
MOLECULAR WEIGHT: 158.98402
SMILES: C1=CN=C(C=N1)Br
Structure:
CAS RN: 43142-58-1
CAS Name: (3E)-3-ethylidene-2-oxolanone
OPENEYE Name: (3E)-3-ethylidenetetrahydrofuran-2-one
IUPAC Name: (3E)-3-ethylideneoxolan-2-one
SYSTEMATIC NAME: (3E)-3-ethylideneoxolan-2-one
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C/C=C/1\CCOC1=O
Structure:
CAS RN: 6973-20-2
CAS Name: (3S)-3-methyloxolane-2,5-dione
OPENEYE Name: (3S)-3-methyltetrahydrofuran-2,5-dione
IUPAC Name: (3S)-3-methyloxolane-2,5-dione
SYSTEMATIC NAME: (3S)-3-methyloxolane-2,5-dione
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: C[C@H]1CC(=O)OC1=O
Structure:
CAS RN: 43112-32-9
CAS Name: (6R)-6-methyl-2-oxanone
OPENEYE Name: (6R)-6-methyltetrahydropyran-2-one
IUPAC Name: (6R)-6-methyloxan-2-one
SYSTEMATIC NAME: (6R)-6-methyloxan-2-one
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C[C@@H]1CCCC(=O)O1
Structure:
CAS RN: 154230-29-2
CAS Name: [(E)-2-(4-chlorophenyl)ethenyl]boronic acid
OPENEYE Name: [(E)-2-(4-chlorophenyl)vinyl]boronic acid
IUPAC Name: [(E)-2-(4-chlorophenyl)ethenyl]boronic acid
SYSTEMATIC NAME: [(E)-2-(4-chlorophenyl)ethenyl]boronic acid
MOLECULAR FORMULA: C8H8BClO2
MOLECULAR WEIGHT: 182.41192
SMILES: B(/C=C/C1=CC=C(C=C1)Cl)(O)O
Structure:
CAS RN: 616-12-6
CAS Name: (E)-3-methyl-2-pentene
OPENEYE Name: (E)-3-methylpent-2-ene
IUPAC Name: (E)-3-methylpent-2-ene
SYSTEMATIC NAME: (E)-3-methylpent-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CC/C(=C/C)/C
Structure:
CAS RN: 922-61-2
CAS Name: (E)-3-methyl-2-pentene
OPENEYE Name: (E)-3-methylpent-2-ene
IUPAC Name: (E)-3-methylpent-2-ene
SYSTEMATIC NAME: (E)-3-methylpent-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CC/C(=C/C)/C
Structure:
CAS RN: 1949-78-6
CAS Name: (2S,3R,4R,5S)-oxane-2,3,4,5-tetrol
OPENEYE Name: (2S,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2S,3R,4R,5S)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3R,4R,5S)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O
Structure:
CAS RN: 88820-44-4
CAS Name: 7-chloro-2-pyrimido[1,2-b]pyridazinone
OPENEYE Name: 7-chloropyrimido[1,2-b]pyridazin-2-one
IUPAC Name: 7-chloropyrimido[1,2-b]pyridazin-2-one
SYSTEMATIC NAME: 7-chloranylpyrimido[1,2-b]pyridazin-2-one
MOLECULAR FORMULA: C7H4ClN3O
MOLECULAR WEIGHT: 181.57916
SMILES: C1=CC(=NN2C1=NC(=O)C=C2)Cl
Structure:
CAS RN: 1988-11-0
CAS Name: 2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,6-diisopropyl-1,4-benzoquinone
IUPAC Name: 2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,6-di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(C)C1=CC(=O)C=C(C1=O)C(C)C
Structure:
CAS RN: 4734-90-1
CAS Name: (3Z)-1-cyclooct-3-enone
OPENEYE Name: (3Z)-cyclooct-3-en-1-one
IUPAC Name: (3Z)-cyclooct-3-en-1-one
SYSTEMATIC NAME: (3Z)-cyclooct-3-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: C1CCC(=O)C/C=C\C1
Structure:
CAS RN: 67401-25-6
CAS Name: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[(E)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C/C=C/CC1=C(C(=O)CCC1(C)C)C
Structure:
CAS RN: 67401-26-7
CAS Name: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[(E)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(E)-but-2-enyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C/C=C/CC1=C(C(=O)CCC1(C)C)C
Structure:
CAS RN: 84696-84-4
CAS Name: 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C=C
Structure:
CAS RN: 100306-33-0
CAS Name: (1R)-3-chloro-1-phenyl-1-propanol
OPENEYE Name: (1R)-3-chloro-1-phenyl-propan-1-ol
IUPAC Name: (1R)-3-chloro-1-phenylpropan-1-ol
SYSTEMATIC NAME: (1R)-3-chloranyl-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C9H11ClO
MOLECULAR WEIGHT: 170.63604
SMILES: C1=CC=C(C=C1)[C@@H](CCCl)O
Structure:
CAS RN: 116422-39-0
CAS Name: (2S)-2-methoxy-1-propanol
OPENEYE Name: (2S)-2-methoxypropan-1-ol
IUPAC Name: (2S)-2-methoxypropan-1-ol
SYSTEMATIC NAME: (2S)-2-methoxypropan-1-ol
MOLECULAR FORMULA: C4H10O2
MOLECULAR WEIGHT: 90.121
SMILES: C[C@@H](CO)OC
Structure:
CAS RN: 551-08-6
CAS Name: (3Z)-3-butylidene-1-isobenzofuranone
OPENEYE Name: (3Z)-3-butylideneisobenzofuran-1-one
IUPAC Name: (3Z)-3-butylidene-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-butylidene-2-benzofuran-1-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CCC/C=C\1/C2=CC=CC=C2C(=O)O1
Structure:
CAS RN: 575-61-1
CAS Name: (3Z)-3-(phenylmethylene)-1-isobenzofuranone
OPENEYE Name: (3Z)-3-benzylideneisobenzofuran-1-one
IUPAC Name: (3Z)-3-benzylidene-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-(phenylmethylidene)-2-benzofuran-1-one
MOLECULAR FORMULA: C15H10O2
MOLECULAR WEIGHT: 222.2387
SMILES: C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 6028-89-3
CAS Name: (E)-1-(4-methylphenyl)-3-thiophen-2-yl-2-propen-1-one
OPENEYE Name: (E)-1-(p-tolyl)-3-(2-thienyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-methylphenyl)-3-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-methylphenyl)-3-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C14H12OS
MOLECULAR WEIGHT: 228.30948
SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CS2
Structure:
CAS RN: 67984-20-7
CAS Name: 3-methyl-2-(3-methyl-2-thiophenyl)thiophene
OPENEYE Name: 3-methyl-2-(3-methyl-2-thienyl)thiophene
IUPAC Name: 3-methyl-2-(3-methylthiophen-2-yl)thiophene
SYSTEMATIC NAME: 3-methyl-2-(3-methylthiophen-2-yl)thiophene
MOLECULAR FORMULA: C10H10S2
MOLECULAR WEIGHT: 194.3164
SMILES: CC1=C(SC=C1)C2=C(C=CS2)C
Structure:
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