2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one

C10H15NO3 — CID 10058531

IUPAC2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCCO
InChIInChI=1S/C10H15NO3/c1-2-8-10(14)9(13)4-6-11(8)5-3-7-12/h4,6,12,14H,2-3,5,7H2,1H3
InChIKeyYUPDDGVCFCGZDD-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.50
Rot. Bonds4

About 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 10058531) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID10058531
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCCO
InChIInChI=1S/C10H15NO3/c1-2-8-10(14)9(13)4-6-11(8)5-3-7-12/h4,6,12,14H,2-3,5,7H2,1H3
InChIKeyYUPDDGVCFCGZDD-UHFFFAOYSA-N
XLogP0.50
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-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 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one (CID 10058531) is 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one is CCc1c(O)c(=O)ccn1CCCO.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is YUPDDGVCFCGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-8-10(14)9(13)4-6-11(8)5-3-7-12/h4,6,12,14H,2-3,5,7H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 10058531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).