3-hydroxy-1-prop-2-enylpyridin-4-one

C8H9NO2 — CID 66668281

IUPAC3-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1
InChIInChI=1S/C8H9NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h2-3,5-6,11H,1,4H2
InChIKeyUNPHMFTURKINQY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.74
Rot. Bonds2

About 3-hydroxy-1-prop-2-enylpyridin-4-one

3-hydroxy-1-prop-2-enylpyridin-4-one (PubChem CID 66668281) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-hydroxy-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-prop-2-enylpyridin-4-one
PubChem CID66668281
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1
InChIInChI=1S/C8H9NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h2-3,5-6,11H,1,4H2
InChIKeyUNPHMFTURKINQY-UHFFFAOYSA-N
XLogP0.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1-prop-2-enylpyridin-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 3-hydroxy-1-prop-2-enylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-prop-2-enylpyridin-4-one (CID 66668281) is 3-hydroxy-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-prop-2-enylpyridin-4-one is C=CCn1ccc(=O)c(O)c1.
What is the InChIKey of 3-hydroxy-1-prop-2-enylpyridin-4-one?
The InChIKey is UNPHMFTURKINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h2-3,5-6,11H,1,4H2.
What are the key properties of 3-hydroxy-1-prop-2-enylpyridin-4-one?
3-hydroxy-1-prop-2-enylpyridin-4-one has a molecular weight of 151.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 66668281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).