1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one

C12H19NO3 — CID 14956307

IUPAC1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one
SMILESCCOCCCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C12H19NO3/c1-3-10-12(15)11(14)6-8-13(10)7-5-9-16-4-2/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyJDUCPXGJCQRMKL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.54
Rot. Bonds6

About 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one

1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one (PubChem CID 14956307) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one
PubChem CID14956307
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one
SMILESCCOCCCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C12H19NO3/c1-3-10-12(15)11(14)6-8-13(10)7-5-9-16-4-2/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyJDUCPXGJCQRMKL-UHFFFAOYSA-N
XLogP1.54
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-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-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The IUPAC name of 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one (CID 14956307) is 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The canonical SMILES for 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one is CCOCCCn1ccc(=O)c(O)c1CC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The InChIKey is JDUCPXGJCQRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-10-12(15)11(14)6-8-13(10)7-5-9-16-4-2/h6,8,15H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one has a molecular weight of 225.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one is sourced from PubChem (CID 14956307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).