3-but-3-enyl-1H-pyridin-4-one

C9H11NO — CID 21472316

IUPAC3-but-3-enyl-1H-pyridin-4-one
SMILESC=CCCc1c[nH]ccc1=O
InChIInChI=1S/C9H11NO/c1-2-3-4-8-7-10-6-5-9(8)11/h2,5-7H,1,3-4H2,(H,10,11)
InChIKeyCPENZRMTOCHLED-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.49
Rot. Bonds3

About 3-but-3-enyl-1H-pyridin-4-one

3-but-3-enyl-1H-pyridin-4-one (PubChem CID 21472316) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-but-3-enyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-but-3-enyl-1H-pyridin-4-one
PubChem CID21472316
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-but-3-enyl-1H-pyridin-4-one
SMILESC=CCCc1c[nH]ccc1=O
InChIInChI=1S/C9H11NO/c1-2-3-4-8-7-10-6-5-9(8)11/h2,5-7H,1,3-4H2,(H,10,11)
InChIKeyCPENZRMTOCHLED-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-but-3-enyl-1H-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 3-but-3-enyl-1H-pyridin-4-one?
The IUPAC name of 3-but-3-enyl-1H-pyridin-4-one (CID 21472316) is 3-but-3-enyl-1H-pyridin-4-one.
What is the SMILES notation for 3-but-3-enyl-1H-pyridin-4-one?
The canonical SMILES for 3-but-3-enyl-1H-pyridin-4-one is C=CCCc1c[nH]ccc1=O.
What is the InChIKey of 3-but-3-enyl-1H-pyridin-4-one?
The InChIKey is CPENZRMTOCHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-4-8-7-10-6-5-9(8)11/h2,5-7H,1,3-4H2,(H,10,11).
What are the key properties of 3-but-3-enyl-1H-pyridin-4-one?
3-but-3-enyl-1H-pyridin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1H-pyridin-4-one is sourced from PubChem (CID 21472316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).