3-acetyl-1-benzylpyridin-2-one

C14H13NO2 — CID 59310744

IUPAC3-acetyl-1-benzylpyridin-2-one
SMILESCC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H13NO2/c1-11(16)13-8-5-9-15(14(13)17)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyMZDGNUXCBGMQBW-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.10
Rot. Bonds3

About 3-acetyl-1-benzylpyridin-2-one

3-acetyl-1-benzylpyridin-2-one (PubChem CID 59310744) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-acetyl-1-benzylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-benzylpyridin-2-one
PubChem CID59310744
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-acetyl-1-benzylpyridin-2-one
SMILESCC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H13NO2/c1-11(16)13-8-5-9-15(14(13)17)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyMZDGNUXCBGMQBW-UHFFFAOYSA-N
XLogP2.10
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Acetoacetobenzylamide
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1-Benzylpiperidine-2,4-dione
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1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
Nsc167484
CID 296919
Benzyldihydronicotinamide
CID 95276
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
LOX inhibitor, 13
CID 123131598

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzylpyridin-2-one?
The IUPAC name of 3-acetyl-1-benzylpyridin-2-one (CID 59310744) is 3-acetyl-1-benzylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-benzylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-benzylpyridin-2-one is CC(=O)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-acetyl-1-benzylpyridin-2-one?
The InChIKey is MZDGNUXCBGMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)13-8-5-9-15(14(13)17)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of 3-acetyl-1-benzylpyridin-2-one?
3-acetyl-1-benzylpyridin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzylpyridin-2-one is sourced from PubChem (CID 59310744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).