(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one

C18H25NO — CID 129383097

IUPAC(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(C[C@H]2CCN(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H25NO/c1-14-7-9-15(10-8-14)13-16-11-12-19(18(16)20)17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3/t16-/m1/s1
InChIKeyAQAGREVATSLUJW-MRXNPFEDSA-N
MW271.40 g/mol
LogP3.72
Rot. Bonds3

About (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one

(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 129383097) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID129383097
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(C[C@H]2CCN(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H25NO/c1-14-7-9-15(10-8-14)13-16-11-12-19(18(16)20)17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3/t16-/m1/s1
InChIKeyAQAGREVATSLUJW-MRXNPFEDSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-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

(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 143568177
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 173174596
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
CID 173174595
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 11637879
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
CID 89259056
CID 89259056
3-[[6-(3-aminophenyl)naphthalen-2-yl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 11675678
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59299356
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
CID 11502520

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 129383097) is (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(C[C@H]2CCN(C3CCCCC3)C2=O)cc1.
What is the InChIKey of (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is AQAGREVATSLUJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-7-9-15(10-8-14)13-16-11-12-19(18(16)20)17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 129383097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).