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

C8H9NO3 — CID 54676154

IUPAC3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3H,1-2H3,(H2,9,11,12)
InChIKeyULZPHVRGOPLRGP-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.59
Rot. Bonds1

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

3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54676154) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54676154
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3H,1-2H3,(H2,9,11,12)
InChIKeyULZPHVRGOPLRGP-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 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54676154) is 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one is CC(=O)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is ULZPHVRGOPLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3H,1-2H3,(H2,9,11,12).
What are the key properties of 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-acetyl-4-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 3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).