1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one

C13H21NO3 — CID 19009432

IUPAC1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCCCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H21NO3/c1-3-4-9-17-10-5-7-14-8-6-12(15)13(16)11(14)2/h6,8,16H,3-5,7,9-10H2,1-2H3
InChIKeyQZLIIDDTJJBNOA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.07
Rot. Bonds7

About 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one

1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 19009432) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID19009432
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCCCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C13H21NO3/c1-3-4-9-17-10-5-7-14-8-6-12(15)13(16)11(14)2/h6,8,16H,3-5,7,9-10H2,1-2H3
InChIKeyQZLIIDDTJJBNOA-UHFFFAOYSA-N
XLogP2.07
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one (CID 19009432) is 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one is CCCCOCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is QZLIIDDTJJBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-4-9-17-10-5-7-14-8-6-12(15)13(16)11(14)2/h6,8,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 239.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 19009432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).