5-benzyl-1H-pyridin-2-one

C12H11NO — CID 11084554

IUPAC5-benzyl-1H-pyridin-2-one
SMILESO=c1ccc(Cc2ccccc2)c[nH]1
InChIInChI=1S/C12H11NO/c14-12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14)
InChIKeyWECQSSBRKCRJLF-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.97
Rot. Bonds2

About 5-benzyl-1H-pyridin-2-one

5-benzyl-1H-pyridin-2-one (PubChem CID 11084554) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-benzyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-benzyl-1H-pyridin-2-one
PubChem CID11084554
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-benzyl-1H-pyridin-2-one
SMILESO=c1ccc(Cc2ccccc2)c[nH]1
InChIInChI=1S/C12H11NO/c14-12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14)
InChIKeyWECQSSBRKCRJLF-UHFFFAOYSA-N
XLogP1.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-benzyl-1H-pyridin-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-benzyl-1H-pyridin-2-one?
The IUPAC name of 5-benzyl-1H-pyridin-2-one (CID 11084554) is 5-benzyl-1H-pyridin-2-one.
What is the SMILES notation for 5-benzyl-1H-pyridin-2-one?
The canonical SMILES for 5-benzyl-1H-pyridin-2-one is O=c1ccc(Cc2ccccc2)c[nH]1.
What is the InChIKey of 5-benzyl-1H-pyridin-2-one?
The InChIKey is WECQSSBRKCRJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14).
What are the key properties of 5-benzyl-1H-pyridin-2-one?
5-benzyl-1H-pyridin-2-one has a molecular weight of 185.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyridin-2-one is sourced from PubChem (CID 11084554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).