4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one

C8H9NO3 — CID 59085744

IUPAC4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)[nH]c(=O)c1O
InChIInChI=1S/C8H9NO3/c1-4-3-6(5(2)10)7(11)8(12)9-4/h3,11H,1-2H3,(H,9,12)
InChIKeyYSVXCDYKRQNTJS-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.59
Rot. Bonds1

About 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one

4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 59085744) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID59085744
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)[nH]c(=O)c1O
InChIInChI=1S/C8H9NO3/c1-4-3-6(5(2)10)7(11)8(12)9-4/h3,11H,1-2H3,(H,9,12)
InChIKeyYSVXCDYKRQNTJS-UHFFFAOYSA-N
XLogP0.59
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one (CID 59085744) is 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one is CC(=O)c1cc(C)[nH]c(=O)c1O.
What is the InChIKey of 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is YSVXCDYKRQNTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-3-6(5(2)10)7(11)8(12)9-4/h3,11H,1-2H3,(H,9,12).
What are the key properties of 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one?
4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 59085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).