2-ethenyl-2,3,4,5-tetrahydropyridine

C7H11N — CID 67162088

IUPAC2-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1CCCC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h2,6-7H,1,3-5H2
InChIKeyLIEAYUHIPHDKMQ-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 2-ethenyl-2,3,4,5-tetrahydropyridine

2-ethenyl-2,3,4,5-tetrahydropyridine (PubChem CID 67162088) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-ethenyl-2,3,4,5-tetrahydropyridine
PubChem CID67162088
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1CCCC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h2,6-7H,1,3-5H2
InChIKeyLIEAYUHIPHDKMQ-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2,3,4,5-tetrahydropyridine 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-ethenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-ethenyl-2,3,4,5-tetrahydropyridine (CID 67162088) is 2-ethenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-ethenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-ethenyl-2,3,4,5-tetrahydropyridine is C=CC1CCCC=N1.
What is the InChIKey of 2-ethenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is LIEAYUHIPHDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h2,6-7H,1,3-5H2.
What are the key properties of 2-ethenyl-2,3,4,5-tetrahydropyridine?
2-ethenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 67162088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).