3-benzyl-1-cyclohexylpyrrolidin-2-one

C17H23NO — CID 11673314

IUPAC3-benzyl-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(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
InChIKeyDGGDICYTCJZLPW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds3

About 3-benzyl-1-cyclohexylpyrrolidin-2-one

3-benzyl-1-cyclohexylpyrrolidin-2-one (PubChem CID 11673314) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-benzyl-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-1-cyclohexylpyrrolidin-2-one
PubChem CID11673314
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-benzyl-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(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
InChIKeyDGGDICYTCJZLPW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 3-benzyl-1-cyclohexylpyrrolidin-2-one (CID 11673314) is 3-benzyl-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 3-benzyl-1-cyclohexylpyrrolidin-2-one is O=C1C(Cc2ccccc2)CCN1C1CCCCC1.
What is the InChIKey of 3-benzyl-1-cyclohexylpyrrolidin-2-one?
The InChIKey is DGGDICYTCJZLPW-UHFFFAOYSA-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.
What are the key properties of 3-benzyl-1-cyclohexylpyrrolidin-2-one?
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 3-benzyl-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 11673314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).