4-hex-3-enylpyridine

C11H15N — CID 139722961

IUPAC4-hex-3-enylpyridine
SMILESCCC=CCCc1ccncc1
InChIInChI=1S/C11H15N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h3-4,7-10H,2,5-6H2,1H3
InChIKeyCEMIMPYGNUYHCH-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.98
Rot. Bonds4

About 4-hex-3-enylpyridine

4-hex-3-enylpyridine (PubChem CID 139722961) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-hex-3-enylpyridine.

Molecular Properties

Compound Name4-hex-3-enylpyridine
PubChem CID139722961
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-hex-3-enylpyridine
SMILESCCC=CCCc1ccncc1
InChIInChI=1S/C11H15N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h3-4,7-10H,2,5-6H2,1H3
InChIKeyCEMIMPYGNUYHCH-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-pent-2-enyl]pyridine
CID 23253538
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
4-nonadec-10-enylpyridine
CID 71356376
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine
CID 143812706
diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene
CID 143675254
N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
CID 54560984
ethane;4-ethylpyridine
CID 142005045
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187

Frequently Asked Questions

What is the IUPAC name of 4-hex-3-enylpyridine?
The IUPAC name of 4-hex-3-enylpyridine (CID 139722961) is 4-hex-3-enylpyridine.
What is the SMILES notation for 4-hex-3-enylpyridine?
The canonical SMILES for 4-hex-3-enylpyridine is CCC=CCCc1ccncc1.
What is the InChIKey of 4-hex-3-enylpyridine?
The InChIKey is CEMIMPYGNUYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h3-4,7-10H,2,5-6H2,1H3.
What are the key properties of 4-hex-3-enylpyridine?
4-hex-3-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 4-hex-3-enylpyridine is sourced from PubChem (CID 139722961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).