3-hex-5-enyl-1H-pyridin-4-one

C11H15NO — CID 160647696

IUPAC3-hex-5-enyl-1H-pyridin-4-one
SMILESC=CCCCCc1c[nH]ccc1=O
InChIInChI=1S/C11H15NO/c1-2-3-4-5-6-10-9-12-8-7-11(10)13/h2,7-9H,1,3-6H2,(H,12,13)
InChIKeyVUDMPDZJKOGSLL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.27
Rot. Bonds5

About 3-hex-5-enyl-1H-pyridin-4-one

3-hex-5-enyl-1H-pyridin-4-one (PubChem CID 160647696) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-hex-5-enyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hex-5-enyl-1H-pyridin-4-one
PubChem CID160647696
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-hex-5-enyl-1H-pyridin-4-one
SMILESC=CCCCCc1c[nH]ccc1=O
InChIInChI=1S/C11H15NO/c1-2-3-4-5-6-10-9-12-8-7-11(10)13/h2,7-9H,1,3-6H2,(H,12,13)
InChIKeyVUDMPDZJKOGSLL-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-hex-5-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-hex-5-enyl-1H-pyridin-4-one?
The IUPAC name of 3-hex-5-enyl-1H-pyridin-4-one (CID 160647696) is 3-hex-5-enyl-1H-pyridin-4-one.
What is the SMILES notation for 3-hex-5-enyl-1H-pyridin-4-one?
The canonical SMILES for 3-hex-5-enyl-1H-pyridin-4-one is C=CCCCCc1c[nH]ccc1=O.
What is the InChIKey of 3-hex-5-enyl-1H-pyridin-4-one?
The InChIKey is VUDMPDZJKOGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-4-5-6-10-9-12-8-7-11(10)13/h2,7-9H,1,3-6H2,(H,12,13).
What are the key properties of 3-hex-5-enyl-1H-pyridin-4-one?
3-hex-5-enyl-1H-pyridin-4-one has a molecular weight of 177.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-enyl-1H-pyridin-4-one is sourced from PubChem (CID 160647696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).