4-ethylidene-2,3-dihydropyrrole

C6H9N — CID 76513124

IUPAC4-ethylidene-2,3-dihydropyrrole
SMILESCC=C1C=NCC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3
InChIKeyLRZBHWOSUISCSV-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About 4-ethylidene-2,3-dihydropyrrole

4-ethylidene-2,3-dihydropyrrole (PubChem CID 76513124) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 4-ethylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-ethylidene-2,3-dihydropyrrole
PubChem CID76513124
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name4-ethylidene-2,3-dihydropyrrole
SMILESCC=C1C=NCC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3
InChIKeyLRZBHWOSUISCSV-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethylidene-2,3-dihydropyrrole 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

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E)-N-methyl-2-(trifluoromethyl)pent-2-en-1-imine
CID 174333816
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
2-fluoro-6-methyl-3,4-dihydro-2H-azepine
CID 143418491

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2,3-dihydropyrrole?
The IUPAC name of 4-ethylidene-2,3-dihydropyrrole (CID 76513124) is 4-ethylidene-2,3-dihydropyrrole.
What is the SMILES notation for 4-ethylidene-2,3-dihydropyrrole?
The canonical SMILES for 4-ethylidene-2,3-dihydropyrrole is CC=C1C=NCC1.
What is the InChIKey of 4-ethylidene-2,3-dihydropyrrole?
The InChIKey is LRZBHWOSUISCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3.
What are the key properties of 4-ethylidene-2,3-dihydropyrrole?
4-ethylidene-2,3-dihydropyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,3-dihydropyrrole is sourced from PubChem (CID 76513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).