2-[(E)-hex-4-en-3-yl]pyridine

C11H15N — CID 121321190

IUPAC2-[(E)-hex-4-en-3-yl]pyridine
SMILESC/C=C/C(CC)c1ccccn1
InChIInChI=1S/C11H15N/c1-3-7-10(4-2)11-8-5-6-9-12-11/h3,5-10H,4H2,1-2H3/b7-3+
InChIKeyOTJAOQQXUYVFMS-XVNBXDOJSA-N
MW161.25 g/mol
LogP3.15
Rot. Bonds3

About 2-[(E)-hex-4-en-3-yl]pyridine

2-[(E)-hex-4-en-3-yl]pyridine (PubChem CID 121321190) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(E)-hex-4-en-3-yl]pyridine.

Molecular Properties

Compound Name2-[(E)-hex-4-en-3-yl]pyridine
PubChem CID121321190
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-[(E)-hex-4-en-3-yl]pyridine
SMILESC/C=C/C(CC)c1ccccn1
InChIInChI=1S/C11H15N/c1-3-7-10(4-2)11-8-5-6-9-12-11/h3,5-10H,4H2,1-2H3/b7-3+
InChIKeyOTJAOQQXUYVFMS-XVNBXDOJSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.15
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

Nicotine
CID 89594
Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
Ethionamide
CID 2761171
Triprolidine
CID 5282443
Anabasine
CID 205586
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-4-en-3-yl]pyridine?
The IUPAC name of 2-[(E)-hex-4-en-3-yl]pyridine (CID 121321190) is 2-[(E)-hex-4-en-3-yl]pyridine.
What is the SMILES notation for 2-[(E)-hex-4-en-3-yl]pyridine?
The canonical SMILES for 2-[(E)-hex-4-en-3-yl]pyridine is C/C=C/C(CC)c1ccccn1.
What is the InChIKey of 2-[(E)-hex-4-en-3-yl]pyridine?
The InChIKey is OTJAOQQXUYVFMS-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H15N/c1-3-7-10(4-2)11-8-5-6-9-12-11/h3,5-10H,4H2,1-2H3/b7-3+.
What are the key properties of 2-[(E)-hex-4-en-3-yl]pyridine?
2-[(E)-hex-4-en-3-yl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-4-en-3-yl]pyridine is sourced from PubChem (CID 121321190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).