5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one

C9H11NO3 — CID 12529528

IUPAC5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCC(=O)c1c(C)cc(=O)n(C)c1O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)10(3)9(13)8(5)6(2)11/h4,13H,1-3H3
InChIKeyIWKMKSQSDJCEGK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.60
Rot. Bonds1

About 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one

5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one (PubChem CID 12529528) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one
PubChem CID12529528
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCC(=O)c1c(C)cc(=O)n(C)c1O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)10(3)9(13)8(5)6(2)11/h4,13H,1-3H3
InChIKeyIWKMKSQSDJCEGK-UHFFFAOYSA-N
XLogP0.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one (CID 12529528) is 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one is CC(=O)c1c(C)cc(=O)n(C)c1O.
What is the InChIKey of 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one?
The InChIKey is IWKMKSQSDJCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-7(12)10(3)9(13)8(5)6(2)11/h4,13H,1-3H3.
What are the key properties of 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one?
5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one has a molecular weight of 181.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-hydroxy-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 12529528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).