4-ethylidene-5-methylidene-2,3-dihydropyridine

C8H11N — CID 123558944

IUPAC4-ethylidene-5-methylidene-2,3-dihydropyridine
SMILESC=C1C=NCCC1=CC
InChIInChI=1S/C8H11N/c1-3-8-4-5-9-6-7(8)2/h3,6H,2,4-5H2,1H3
InChIKeyUYPNVQNESXSJRQ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds

About 4-ethylidene-5-methylidene-2,3-dihydropyridine

4-ethylidene-5-methylidene-2,3-dihydropyridine (PubChem CID 123558944) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-ethylidene-5-methylidene-2,3-dihydropyridine.

Molecular Properties

Compound Name4-ethylidene-5-methylidene-2,3-dihydropyridine
PubChem CID123558944
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-ethylidene-5-methylidene-2,3-dihydropyridine
SMILESC=C1C=NCCC1=CC
InChIInChI=1S/C8H11N/c1-3-8-4-5-9-6-7(8)2/h3,6H,2,4-5H2,1H3
InChIKeyUYPNVQNESXSJRQ-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethylidene-5-methylidene-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 4-ethylidene-5-methylidene-2,3-dihydropyridine?
The IUPAC name of 4-ethylidene-5-methylidene-2,3-dihydropyridine (CID 123558944) is 4-ethylidene-5-methylidene-2,3-dihydropyridine.
What is the SMILES notation for 4-ethylidene-5-methylidene-2,3-dihydropyridine?
The canonical SMILES for 4-ethylidene-5-methylidene-2,3-dihydropyridine is C=C1C=NCCC1=CC.
What is the InChIKey of 4-ethylidene-5-methylidene-2,3-dihydropyridine?
The InChIKey is UYPNVQNESXSJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-4-5-9-6-7(8)2/h3,6H,2,4-5H2,1H3.
What are the key properties of 4-ethylidene-5-methylidene-2,3-dihydropyridine?
4-ethylidene-5-methylidene-2,3-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5-methylidene-2,3-dihydropyridine is sourced from PubChem (CID 123558944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).