2-hex-4-enylpyridine

C11H15N — CID 174507430

IUPAC2-hex-4-enylpyridine
SMILESCC=CCCCc1ccccn1
InChIInChI=1S/C11H15N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyUXBORBFNKLGRCP-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.98
Rot. Bonds4

About 2-hex-4-enylpyridine

2-hex-4-enylpyridine (PubChem CID 174507430) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-hex-4-enylpyridine.

Molecular Properties

Compound Name2-hex-4-enylpyridine
PubChem CID174507430
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-hex-4-enylpyridine
SMILESCC=CCCCc1ccccn1
InChIInChI=1S/C11H15N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyUXBORBFNKLGRCP-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 2-hex-4-enylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(5-methyloct-4-enyl)pyridine
CID 123569284
4-pyridin-2-ylbutan-1-imine
CID 91482132
5-pyridin-2-ylpentanal
CID 13416615
2-[(Z)-5-methoxyhex-4-enyl]pyridine
CID 14312400
2-undecylpyridine
CID 66882765
(9Z,12Z)-18-pyridin-2-yloctadeca-9,12-dienamide
CID 122703922
2-oct-7-enylpyridine
CID 57031977
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
2-hexadecylpyridine;hydrate
CID 141211108
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
chromium;2-pentylpyridine;hydrochloride
CID 175220071

Frequently Asked Questions

What is the IUPAC name of 2-hex-4-enylpyridine?
The IUPAC name of 2-hex-4-enylpyridine (CID 174507430) is 2-hex-4-enylpyridine.
What is the SMILES notation for 2-hex-4-enylpyridine?
The canonical SMILES for 2-hex-4-enylpyridine is CC=CCCCc1ccccn1.
What is the InChIKey of 2-hex-4-enylpyridine?
The InChIKey is UXBORBFNKLGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of 2-hex-4-enylpyridine?
2-hex-4-enylpyridine has a molecular weight of 161.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-4-enylpyridine is sourced from PubChem (CID 174507430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).