2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile

C8H4N2 — CID 19901251

IUPAC2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1C=CC=C1
InChIInChI=1S/C8H4N2/c9-5-8(6-10)7-3-1-2-4-7/h1-4H
InChIKeyQYWDYGGZIARXGC-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.46
Rot. Bonds

About 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile

2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile (PubChem CID 19901251) has the molecular formula C8H4N2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile
PubChem CID19901251
Molecular FormulaC8H4N2
Molecular Weight128.13 g/mol
Exact Mass128.04
IUPAC Name2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile
SMILESN#CC(C#N)=C1C=CC=C1
InChIInChI=1S/C8H4N2/c9-5-8(6-10)7-3-1-2-4-7/h1-4H
InChIKeyQYWDYGGZIARXGC-UHFFFAOYSA-N
XLogP1.46
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile 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-cyclopenta-2,4-dien-1-ylidenepropanedinitrile?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile (CID 19901251) is 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile is N#CC(C#N)=C1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile?
The InChIKey is QYWDYGGZIARXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2/c9-5-8(6-10)7-3-1-2-4-7/h1-4H.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile?
2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile has a molecular weight of 128.13 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylidenepropanedinitrile is sourced from PubChem (CID 19901251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).