2-oct-7-enylpyridine

C13H19N — CID 57031977

IUPAC2-oct-7-enylpyridine
SMILESC=CCCCCCCc1ccccn1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h2,8-9,11-12H,1,3-7,10H2
InChIKeyJXKKKJBECJZEAQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.76
Rot. Bonds7

About 2-oct-7-enylpyridine

2-oct-7-enylpyridine (PubChem CID 57031977) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-oct-7-enylpyridine.

Molecular Properties

Compound Name2-oct-7-enylpyridine
PubChem CID57031977
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-oct-7-enylpyridine
SMILESC=CCCCCCCc1ccccn1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h2,8-9,11-12H,1,3-7,10H2
InChIKeyJXKKKJBECJZEAQ-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.76
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-oct-7-enylpyridine 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-oct-7-enylpyridine?
The IUPAC name of 2-oct-7-enylpyridine (CID 57031977) is 2-oct-7-enylpyridine.
What is the SMILES notation for 2-oct-7-enylpyridine?
The canonical SMILES for 2-oct-7-enylpyridine is C=CCCCCCCc1ccccn1.
What is the InChIKey of 2-oct-7-enylpyridine?
The InChIKey is JXKKKJBECJZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-13/h2,8-9,11-12H,1,3-7,10H2.
What are the key properties of 2-oct-7-enylpyridine?
2-oct-7-enylpyridine has a molecular weight of 189.30 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-7-enylpyridine is sourced from PubChem (CID 57031977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).