1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one

C16H16N2O — CID 175984364

IUPAC1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
SMILESCc1cccc(N2CCC(c3cccnc3)C2=O)c1
InChIInChI=1S/C16H16N2O/c1-12-4-2-6-14(10-12)18-9-7-15(16(18)19)13-5-3-8-17-11-13/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyZJXLGWUNSGXICS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one

1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one (PubChem CID 175984364) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
PubChem CID175984364
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
SMILESCc1cccc(N2CCC(c3cccnc3)C2=O)c1
InChIInChI=1S/C16H16N2O/c1-12-4-2-6-14(10-12)18-9-7-15(16(18)19)13-5-3-8-17-11-13/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyZJXLGWUNSGXICS-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 156907214
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686
(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 125488307
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
(3aR,4R,7S,7aS)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11890781
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
(1R,2S,6S,7R)-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98048452
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-methylphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629140
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one (CID 175984364) is 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one is Cc1cccc(N2CCC(c3cccnc3)C2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is ZJXLGWUNSGXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-4-2-6-14(10-12)18-9-7-15(16(18)19)13-5-3-8-17-11-13/h2-6,8,10-11,15H,7,9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one?
1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 175984364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).