(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one

C17H23NO — CID 129365070

IUPAC(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)CCN1C1CCCCC1
InChIInChI=1S/C17H23NO/c19-17-15(13-14-7-3-1-4-8-14)11-12-18(17)16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyDGGDICYTCJZLPW-OAHLLOKOSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds3

About (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one

(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one (PubChem CID 129365070) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
PubChem CID129365070
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)CCN1C1CCCCC1
InChIInChI=1S/C17H23NO/c19-17-15(13-14-7-3-1-4-8-14)11-12-18(17)16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyDGGDICYTCJZLPW-OAHLLOKOSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129383097
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 11637879
(2S,8S)-2-benzyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11171933
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 173174596
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59299356
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
CID 173174595
3-[[6-(3-aminophenyl)naphthalen-2-yl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 11675678
N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
CID 163623846
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-[[2-(3-chloro-2-oxopropoxy)phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 87681590

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one (CID 129365070) is (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one is O=C1[C@@H](Cc2ccccc2)CCN1C1CCCCC1.
What is the InChIKey of (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one?
The InChIKey is DGGDICYTCJZLPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-15(13-14-7-3-1-4-8-14)11-12-18(17)16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/t15-/m1/s1.
What are the key properties of (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one?
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 129365070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).