5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one

C15H15NO3 — CID 54733071

IUPAC5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C15H15NO3/c1-10-15(11(2)17)13(18)8-14(19)16(10)9-12-6-4-3-5-7-12/h3-8,18H,9H2,1-2H3
InChIKeyQHFSZVCPIKXATM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds3

About 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one

5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54733071) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID54733071
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C15H15NO3/c1-10-15(11(2)17)13(18)8-14(19)16(10)9-12-6-4-3-5-7-12/h3-8,18H,9H2,1-2H3
InChIKeyQHFSZVCPIKXATM-UHFFFAOYSA-N
XLogP2.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one (CID 54733071) is 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one is CC(=O)c1c(O)cc(=O)n(Cc2ccccc2)c1C.
What is the InChIKey of 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is QHFSZVCPIKXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-15(11(2)17)13(18)8-14(19)16(10)9-12-6-4-3-5-7-12/h3-8,18H,9H2,1-2H3.
What are the key properties of 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one?
5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54733071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).