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

C12H19NO2 — CID 10488627

IUPAC1-hexyl-3-hydroxy-2-methylpyridin-4-one
SMILESCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-8-13-9-7-11(14)12(15)10(13)2/h7,9,15H,3-6,8H2,1-2H3
InChIKeyUJMBXXIGVFMNDN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.44
Rot. Bonds5

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

1-hexyl-3-hydroxy-2-methylpyridin-4-one (PubChem CID 10488627) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-hexyl-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-hexyl-3-hydroxy-2-methylpyridin-4-one
PubChem CID10488627
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-hexyl-3-hydroxy-2-methylpyridin-4-one
SMILESCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-8-13-9-7-11(14)12(15)10(13)2/h7,9,15H,3-6,8H2,1-2H3
InChIKeyUJMBXXIGVFMNDN-UHFFFAOYSA-N
XLogP2.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-hexyl-3-hydroxy-2-methylpyridin-4-one (CID 10488627) is 1-hexyl-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-hexyl-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-hexyl-3-hydroxy-2-methylpyridin-4-one is CCCCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 1-hexyl-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is UJMBXXIGVFMNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-5-6-8-13-9-7-11(14)12(15)10(13)2/h7,9,15H,3-6,8H2,1-2H3.
What are the key properties of 1-hexyl-3-hydroxy-2-methylpyridin-4-one?
1-hexyl-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 209.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 10488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).