5-acetyl-1-benzylpyrrolidin-2-one

C13H15NO2 — CID 19834189

IUPAC5-acetyl-1-benzylpyrrolidin-2-one
SMILESCC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(15)12-7-8-13(16)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyFIFRJJLOOYYYOZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds3

About 5-acetyl-1-benzylpyrrolidin-2-one

5-acetyl-1-benzylpyrrolidin-2-one (PubChem CID 19834189) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-acetyl-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzylpyrrolidin-2-one
PubChem CID19834189
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-acetyl-1-benzylpyrrolidin-2-one
SMILESCC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(15)12-7-8-13(16)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyFIFRJJLOOYYYOZ-UHFFFAOYSA-N
XLogP1.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-acetyl-1-benzylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzylpyrrolidin-2-one?
The IUPAC name of 5-acetyl-1-benzylpyrrolidin-2-one (CID 19834189) is 5-acetyl-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 5-acetyl-1-benzylpyrrolidin-2-one?
The canonical SMILES for 5-acetyl-1-benzylpyrrolidin-2-one is CC(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 5-acetyl-1-benzylpyrrolidin-2-one?
The InChIKey is FIFRJJLOOYYYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(15)12-7-8-13(16)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 5-acetyl-1-benzylpyrrolidin-2-one?
5-acetyl-1-benzylpyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 19834189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).