6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one

C22H24ClNO3 — CID 67397905

IUPAC6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
SMILESCCOc1ccc(C(=C[C@H]2CCC(=O)C2)c2ccc(CC)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C22H24ClNO3/c1-3-15-6-9-20(24-22(15)26)18(12-14-5-8-17(25)11-14)16-7-10-21(27-4-2)19(23)13-16/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyFDSKPWLPGUVSQL-AWEZNQCLSA-N
MW385.89 g/mol
LogP4.79
Rot. Bonds6

About 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one

6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one (PubChem CID 67397905) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
PubChem CID67397905
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
SMILESCCOc1ccc(C(=C[C@H]2CCC(=O)C2)c2ccc(CC)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C22H24ClNO3/c1-3-15-6-9-20(24-22(15)26)18(12-14-5-8-17(25)11-14)16-7-10-21(27-4-2)19(23)13-16/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyFDSKPWLPGUVSQL-AWEZNQCLSA-N
XLogP4.79
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(3-chloro-4-methylsulfanylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67398693
6-[1-(3-chloro-4-propoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399572
3-chloro-6-[(E)-1-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452378
3-chloro-6-[(E)-1-(3-chloro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452824
6-[(E)-1-[3-chloro-4-[3-(ethylamino)propoxy]phenyl]-2-cyclopentylethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452471
6-[(E)-1-(3-chloro-4-cyclopentyloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 58452857
6-[1-[3-chloro-4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400445
3-chloro-4-ethoxybenzoate
CID 6927202
3-chloro-6-[(E)-1-naphthalen-2-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452352
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
CID 82287879
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one?
The IUPAC name of 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one (CID 67397905) is 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one?
The canonical SMILES for 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one is CCOc1ccc(C(=C[C@H]2CCC(=O)C2)c2ccc(CC)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one?
The InChIKey is FDSKPWLPGUVSQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-3-15-6-9-20(24-22(15)26)18(12-14-5-8-17(25)11-14)16-7-10-21(27-4-2)19(23)13-16/h6-7,9-10,12-14H,3-5,8,11H2,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one?
6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one has a molecular weight of 385.89 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-4-ethoxyphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 67397905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).