6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C17H17ClN2O2 — CID 164643258

IUPAC6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C17H17ClN2O2/c1-19-15(4-2-6-16(19)21)17(22)20-11-3-5-14(20)12-7-9-13(18)10-8-12/h2,4,6-10,14H,3,5,11H2,1H3/t14-/m0/s1
InChIKeyMTLQJKGBJBFKCF-AWEZNQCLSA-N
MW316.79 g/mol
LogP3.02
Rot. Bonds2

About 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 164643258) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID164643258
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C17H17ClN2O2/c1-19-15(4-2-6-16(19)21)17(22)20-11-3-5-14(20)12-7-9-13(18)10-8-12/h2,4,6-10,14H,3,5,11H2,1H3/t14-/m0/s1
InChIKeyMTLQJKGBJBFKCF-AWEZNQCLSA-N
XLogP3.02
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
5-[2-(4-chlorophenyl)azepane-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 154843204
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
5-bromo-6-[2-(4-chlorophenyl)piperidine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 166391654
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 164643258) is 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cccc1=O.
What is the InChIKey of 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is MTLQJKGBJBFKCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-19-15(4-2-6-16(19)21)17(22)20-11-3-5-14(20)12-7-9-13(18)10-8-12/h2,4,6-10,14H,3,5,11H2,1H3/t14-/m0/s1.
What are the key properties of 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 316.79 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 164643258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).