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

C7H11N — CID 91441485

IUPAC5-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1C=NCCC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h2,6-7H,1,3-5H2
InChIKeyJMFRYMQETXEFHS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds1

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

5-ethenyl-2,3,4,5-tetrahydropyridine (PubChem CID 91441485) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-ethenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-ethenyl-2,3,4,5-tetrahydropyridine
PubChem CID91441485
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1C=NCCC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h2,6-7H,1,3-5H2
InChIKeyJMFRYMQETXEFHS-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-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

Related Compounds

3-Aza-bicyclo[3.2.1]octa-3,6-diene
CID 86038673
4-Ethenyl-2,3,4,5-tetrahydropyridine
CID 89067291
3-ethenyl-3,4-dihydro-2H-pyrrole
CID 91530232
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
5-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 123643168
(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole
CID 143927759
N-(2,4-dimethylhex-5-enyl)ethanimine
CID 155393140
(2S)-N-ethyl-2-methylhex-5-en-1-imine
CID 170738329
3-Prop-2-enyl-2,3,4,5-tetrahydropyridine
CID 173283580
2-ethenyl-N-hexylpent-4-en-1-imine
CID 24977214
CID 101764010
CID 101764010

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-ethenyl-2,3,4,5-tetrahydropyridine (CID 91441485) is 5-ethenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-ethenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-ethenyl-2,3,4,5-tetrahydropyridine is C=CC1C=NCCC1.
What is the InChIKey of 5-ethenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is JMFRYMQETXEFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h2,6-7H,1,3-5H2.
What are the key properties of 5-ethenyl-2,3,4,5-tetrahydropyridine?
5-ethenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 91441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).