5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one

C12H14ClNO — CID 3024925

IUPAC5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C12H14ClNO/c1-8-6-10(14-12(8)15)7-9-4-2-3-5-11(9)13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKeyHXUIYPGUOGMPHA-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.41
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one

5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 3024925) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
PubChem CID3024925
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C12H14ClNO/c1-8-6-10(14-12(8)15)7-9-4-2-3-5-11(9)13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKeyHXUIYPGUOGMPHA-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
5-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 67491988
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020551
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
(3S,7S,8aS)-7-[(2-chlorophenyl)methylamino]-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56857667
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952168
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135458588

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one (CID 3024925) is 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one is CC1CC(Cc2ccccc2Cl)NC1=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is HXUIYPGUOGMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-6-10(14-12(8)15)7-9-4-2-3-5-11(9)13/h2-5,8,10H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one?
5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 3024925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).