3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one

C17H22ClNO — CID 11637879

IUPAC3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(Cc2cccc(Cl)c2)CCN1C1CCCCC1
InChIInChI=1S/C17H22ClNO/c18-15-6-4-5-13(12-15)11-14-9-10-19(17(14)20)16-7-2-1-3-8-16/h4-6,12,14,16H,1-3,7-11H2
InChIKeyGXYYUOQFUVKGIB-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.06
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one

3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one (PubChem CID 11637879) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
PubChem CID11637879
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(Cc2cccc(Cl)c2)CCN1C1CCCCC1
InChIInChI=1S/C17H22ClNO/c18-15-6-4-5-13(12-15)11-14-9-10-19(17(14)20)16-7-2-1-3-8-16/h4-6,12,14,16H,1-3,7-11H2
InChIKeyGXYYUOQFUVKGIB-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129383097
3-[[6-(3-aminophenyl)naphthalen-2-yl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 11675678
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 173174596
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
CID 173174595
1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 143568177
3-[(2-chloro-4-piperidin-1-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 59299346
(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741173
3-[[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenoxy]methyl]benzoic acid
CID 11955702
N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
CID 163623846

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one (CID 11637879) is 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one is O=C1C(Cc2cccc(Cl)c2)CCN1C1CCCCC1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The InChIKey is GXYYUOQFUVKGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15-6-4-5-13(12-15)11-14-9-10-19(17(14)20)16-7-2-1-3-8-16/h4-6,12,14,16H,1-3,7-11H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one has a molecular weight of 291.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 11637879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).