2-ethyl-2,3-dihydropyridine

C7H11N — CID 67522417

IUPAC2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=CC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3
InChIKeyUZKCOFFKHSXHKI-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 2-ethyl-2,3-dihydropyridine

2-ethyl-2,3-dihydropyridine (PubChem CID 67522417) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-2,3-dihydropyridine
PubChem CID67522417
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=CC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3
InChIKeyUZKCOFFKHSXHKI-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

Analyze 2-ethyl-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-ethyl-2,3-dihydropyridine?
The IUPAC name of 2-ethyl-2,3-dihydropyridine (CID 67522417) is 2-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 2-ethyl-2,3-dihydropyridine?
The canonical SMILES for 2-ethyl-2,3-dihydropyridine is CCC1CC=CC=N1.
What is the InChIKey of 2-ethyl-2,3-dihydropyridine?
The InChIKey is UZKCOFFKHSXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydropyridine?
2-ethyl-2,3-dihydropyridine 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-ethyl-2,3-dihydropyridine is sourced from PubChem (CID 67522417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).