3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one

C16H15ClN2O — CID 156907214

IUPAC3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccncc1N1CCC(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H15ClN2O/c1-11-5-7-18-10-15(11)19-8-6-14(16(19)20)12-3-2-4-13(17)9-12/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyJNMYIISRJKNRPB-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.56
Rot. Bonds2

About 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one

3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 156907214) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID156907214
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccncc1N1CCC(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H15ClN2O/c1-11-5-7-18-10-15(11)19-8-6-14(16(19)20)12-3-2-4-13(17)9-12/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyJNMYIISRJKNRPB-UHFFFAOYSA-N
XLogP3.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one
CID 156906649
1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
CID 175984364
(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 125488307
1-(4-methyl-3-pyridinyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970731
1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64970685
8-chloro-7-fluoro-2-(4-methyl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
CID 56942894
3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3076811
1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione
CID 79515403
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
1-(4-methyl-3-pyridinyl)-3-(4-phenylphenyl)imidazolidin-2-one
CID 59636241
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one (CID 156907214) is 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one is Cc1ccncc1N1CCC(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is JNMYIISRJKNRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-5-7-18-10-15(11)19-8-6-14(16(19)20)12-3-2-4-13(17)9-12/h2-5,7,9-10,14H,6,8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one?
3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 156907214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).