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

C9H11NO3 — CID 54691703

IUPAC3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(13)10(5)3/h4,12H,1-3H3
InChIKeyQUYIISZLCVRHGN-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.60
Rot. Bonds1

About 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one

3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54691703) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54691703
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(13)10(5)3/h4,12H,1-3H3
InChIKeyQUYIISZLCVRHGN-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 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54691703) is 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one is CC(=O)c1c(O)cc(C)n(C)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is QUYIISZLCVRHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(13)10(5)3/h4,12H,1-3H3.
What are the key properties of 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one?
3-acetyl-4-hydroxy-1,6-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 3-acetyl-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54691703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).