2-benzyl-3H-pyridin-4-one

C12H11NO — CID 140990724

IUPAC2-benzyl-3H-pyridin-4-one
SMILESO=C1C=CN=C(Cc2ccccc2)C1
InChIInChI=1S/C12H11NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyDHAUFVRFWVXWSB-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.16
Rot. Bonds2

About 2-benzyl-3H-pyridin-4-one

2-benzyl-3H-pyridin-4-one (PubChem CID 140990724) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-benzyl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-benzyl-3H-pyridin-4-one
PubChem CID140990724
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-benzyl-3H-pyridin-4-one
SMILESO=C1C=CN=C(Cc2ccccc2)C1
InChIInChI=1S/C12H11NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyDHAUFVRFWVXWSB-UHFFFAOYSA-N
XLogP2.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3H-pyridin-4-one?
The IUPAC name of 2-benzyl-3H-pyridin-4-one (CID 140990724) is 2-benzyl-3H-pyridin-4-one.
What is the SMILES notation for 2-benzyl-3H-pyridin-4-one?
The canonical SMILES for 2-benzyl-3H-pyridin-4-one is O=C1C=CN=C(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-3H-pyridin-4-one?
The InChIKey is DHAUFVRFWVXWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-6-7-13-11(9-12)8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2-benzyl-3H-pyridin-4-one?
2-benzyl-3H-pyridin-4-one has a molecular weight of 185.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-pyridin-4-one is sourced from PubChem (CID 140990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).