3-oct-1-enylpyridine

C13H19N — CID 67243858

IUPAC3-oct-1-enylpyridine
SMILESCCCCCCC=Cc1cccnc1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-9-13-10-8-11-14-12-13/h7-12H,2-6H2,1H3
InChIKeyNFSSWOYPAWZHQX-UHFFFAOYSA-N
MW189.30 g/mol
LogP4.07
Rot. Bonds6

About 3-oct-1-enylpyridine

3-oct-1-enylpyridine (PubChem CID 67243858) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-oct-1-enylpyridine.

Molecular Properties

Compound Name3-oct-1-enylpyridine
PubChem CID67243858
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-oct-1-enylpyridine
SMILESCCCCCCC=Cc1cccnc1
InChIInChI=1S/C13H19N/c1-2-3-4-5-6-7-9-13-10-8-11-14-12-13/h7-12H,2-6H2,1H3
InChIKeyNFSSWOYPAWZHQX-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oct-1-enylpyridine?
The IUPAC name of 3-oct-1-enylpyridine (CID 67243858) is 3-oct-1-enylpyridine.
What is the SMILES notation for 3-oct-1-enylpyridine?
The canonical SMILES for 3-oct-1-enylpyridine is CCCCCCC=Cc1cccnc1.
What is the InChIKey of 3-oct-1-enylpyridine?
The InChIKey is NFSSWOYPAWZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-6-7-9-13-10-8-11-14-12-13/h7-12H,2-6H2,1H3.
What are the key properties of 3-oct-1-enylpyridine?
3-oct-1-enylpyridine has a molecular weight of 189.30 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-enylpyridine is sourced from PubChem (CID 67243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).