5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one

C12H17NO3 — CID 12529532

IUPAC5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCn1c(O)c(C(C)=O)c(C)cc1=O
InChIInChI=1S/C12H17NO3/c1-4-5-6-13-10(15)7-8(2)11(9(3)14)12(13)16/h7,16H,4-6H2,1-3H3
InChIKeyLKSVGIIOKIUVIY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.87
Rot. Bonds4

About 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one

5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one (PubChem CID 12529532) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one
PubChem CID12529532
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCn1c(O)c(C(C)=O)c(C)cc1=O
InChIInChI=1S/C12H17NO3/c1-4-5-6-13-10(15)7-8(2)11(9(3)14)12(13)16/h7,16H,4-6H2,1-3H3
InChIKeyLKSVGIIOKIUVIY-UHFFFAOYSA-N
XLogP1.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, 1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 120131
3-(1-Hydroxyethylidene)-1,4-dimethylpyridine-2,6(1H,3H)-dione
CID 12529528
5-acetyl-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-3,4-dimethylpyridin-2-one
CID 135429776
5-Acetyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 12529529
2-Hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carboxamide
CID 15131400
2-Hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carboxamide
CID 15216538
1-Butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 15216539
1-Butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20541688
1,5-Diethyl-6-hydroxy-4-methylpyridin-2-one
CID 20541696
5-Butyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20541705
1-Butyl-6-hydroxy-4,5-dimethylpyridin-2-one
CID 20541706
1-Butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide
CID 22761577

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one (CID 12529532) is 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one is CCCCn1c(O)c(C(C)=O)c(C)cc1=O.
What is the InChIKey of 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is LKSVGIIOKIUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-5-6-13-10(15)7-8(2)11(9(3)14)12(13)16/h7,16H,4-6H2,1-3H3.
What are the key properties of 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one?
5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 12529532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).