4-benzyl-1H-pyridin-2-one

C12H11NO — CID 54492178

IUPAC4-benzyl-1H-pyridin-2-one
SMILESO=c1cc(Cc2ccccc2)cc[nH]1
InChIInChI=1S/C12H11NO/c14-12-9-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14)
InChIKeyXWMVQJYBQLXEIW-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.97
Rot. Bonds2

About 4-benzyl-1H-pyridin-2-one

4-benzyl-1H-pyridin-2-one (PubChem CID 54492178) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-benzyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-benzyl-1H-pyridin-2-one
PubChem CID54492178
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-benzyl-1H-pyridin-2-one
SMILESO=c1cc(Cc2ccccc2)cc[nH]1
InChIInChI=1S/C12H11NO/c14-12-9-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14)
InChIKeyXWMVQJYBQLXEIW-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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1H-pyridin-2-one?
The IUPAC name of 4-benzyl-1H-pyridin-2-one (CID 54492178) is 4-benzyl-1H-pyridin-2-one.
What is the SMILES notation for 4-benzyl-1H-pyridin-2-one?
The canonical SMILES for 4-benzyl-1H-pyridin-2-one is O=c1cc(Cc2ccccc2)cc[nH]1.
What is the InChIKey of 4-benzyl-1H-pyridin-2-one?
The InChIKey is XWMVQJYBQLXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-9-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14).
What are the key properties of 4-benzyl-1H-pyridin-2-one?
4-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 4-benzyl-1H-pyridin-2-one is sourced from PubChem (CID 54492178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).