2-ethenyl-2,3-dihydropyridine

C7H9N — CID 123844234

IUPAC2-ethenyl-2,3-dihydropyridine
SMILESC=CC1CC=CC=N1
InChIInChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-4,6-7H,1,5H2
InChIKeyFKHYCAOOJFMKIC-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds1

About 2-ethenyl-2,3-dihydropyridine

2-ethenyl-2,3-dihydropyridine (PubChem CID 123844234) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2-ethenyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-ethenyl-2,3-dihydropyridine
PubChem CID123844234
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2-ethenyl-2,3-dihydropyridine
SMILESC=CC1CC=CC=N1
InChIInChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-4,6-7H,1,5H2
InChIKeyFKHYCAOOJFMKIC-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
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-dihydropyridine 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-dihydropyridine?
The IUPAC name of 2-ethenyl-2,3-dihydropyridine (CID 123844234) is 2-ethenyl-2,3-dihydropyridine.
What is the SMILES notation for 2-ethenyl-2,3-dihydropyridine?
The canonical SMILES for 2-ethenyl-2,3-dihydropyridine is C=CC1CC=CC=N1.
What is the InChIKey of 2-ethenyl-2,3-dihydropyridine?
The InChIKey is FKHYCAOOJFMKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-4,6-7H,1,5H2.
What are the key properties of 2-ethenyl-2,3-dihydropyridine?
2-ethenyl-2,3-dihydropyridine has a molecular weight of 107.16 g/mol, XLogP of 1.57, 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-dihydropyridine is sourced from PubChem (CID 123844234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).