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

C10H15NO2 — CID 22367253

IUPAC1-butyl-5-hydroxy-2-methylpyridin-4-one
SMILESCCCCn1cc(O)c(=O)cc1C
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-7-10(13)9(12)6-8(11)2/h6-7,13H,3-5H2,1-2H3
InChIKeyUSDFBHJRCBEADH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds3

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

1-butyl-5-hydroxy-2-methylpyridin-4-one (PubChem CID 22367253) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-butyl-5-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-butyl-5-hydroxy-2-methylpyridin-4-one
PubChem CID22367253
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-butyl-5-hydroxy-2-methylpyridin-4-one
SMILESCCCCn1cc(O)c(=O)cc1C
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-7-10(13)9(12)6-8(11)2/h6-7,13H,3-5H2,1-2H3
InChIKeyUSDFBHJRCBEADH-UHFFFAOYSA-N
XLogP1.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-butyl-5-hydroxy-2-methylpyridin-4-one (CID 22367253) is 1-butyl-5-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-butyl-5-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-butyl-5-hydroxy-2-methylpyridin-4-one is CCCCn1cc(O)c(=O)cc1C.
What is the InChIKey of 1-butyl-5-hydroxy-2-methylpyridin-4-one?
The InChIKey is USDFBHJRCBEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-11-7-10(13)9(12)6-8(11)2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 1-butyl-5-hydroxy-2-methylpyridin-4-one?
1-butyl-5-hydroxy-2-methylpyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 22367253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).