3-acetyl-4-hydroxy-1-methylpyridin-2-one

C8H9NO3 — CID 130031944

IUPAC3-acetyl-4-hydroxy-1-methylpyridin-2-one
SMILESCC(=O)c1c(O)ccn(C)c1=O
InChIInChI=1S/C8H9NO3/c1-5(10)7-6(11)3-4-9(2)8(7)12/h3-4,11H,1-2H3
InChIKeyMIHYYDRKOZYYIP-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.29
Rot. Bonds1

About 3-acetyl-4-hydroxy-1-methylpyridin-2-one

3-acetyl-4-hydroxy-1-methylpyridin-2-one (PubChem CID 130031944) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-methylpyridin-2-one
PubChem CID130031944
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-acetyl-4-hydroxy-1-methylpyridin-2-one
SMILESCC(=O)c1c(O)ccn(C)c1=O
InChIInChI=1S/C8H9NO3/c1-5(10)7-6(11)3-4-9(2)8(7)12/h3-4,11H,1-2H3
InChIKeyMIHYYDRKOZYYIP-UHFFFAOYSA-N
XLogP0.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-methylpyridin-2-one (CID 130031944) is 3-acetyl-4-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-methylpyridin-2-one is CC(=O)c1c(O)ccn(C)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1-methylpyridin-2-one?
The InChIKey is MIHYYDRKOZYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5(10)7-6(11)3-4-9(2)8(7)12/h3-4,11H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-methylpyridin-2-one?
3-acetyl-4-hydroxy-1-methylpyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 130031944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).