cyclopenta-2,4-diene-1,1-dicarbonitrile

C7H4N2 — CID 13445029

IUPACcyclopenta-2,4-diene-1,1-dicarbonitrile
SMILESN#CC1(C#N)C=CC=C1
InChIInChI=1S/C7H4N2/c8-5-7(6-9)3-1-2-4-7/h1-4H
InChIKeyDOBHRUPBMGMQHW-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.15
Rot. Bonds

About cyclopenta-2,4-diene-1,1-dicarbonitrile

cyclopenta-2,4-diene-1,1-dicarbonitrile (PubChem CID 13445029) has the molecular formula C7H4N2 and a molecular weight of 116.12 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1,1-dicarbonitrile.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1,1-dicarbonitrile
PubChem CID13445029
Molecular FormulaC7H4N2
Molecular Weight116.12 g/mol
Exact Mass116.04
IUPAC Namecyclopenta-2,4-diene-1,1-dicarbonitrile
SMILESN#CC1(C#N)C=CC=C1
InChIInChI=1S/C7H4N2/c8-5-7(6-9)3-1-2-4-7/h1-4H
InChIKeyDOBHRUPBMGMQHW-UHFFFAOYSA-N
XLogP1.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopenta-2,4-diene-1,1-dicarbonitrile 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

5-Cyano-1,3-cyclopentadiene
CID 620080
1-Cyano-1,4-cyclopentadiene
CID 12156911
1,3-Cyclopentadiene-1,2-dicarbonitrile
CID 12846952
2,4-Pentadiene cyanide
CID 15570266
2-Cyclopenta-2,4-dien-1-ylidenepropanedinitrile
CID 19901251
Hexa-3,5-dienenitrile
CID 54003766
Dicyanocycloheptatriene
CID 12480825
2-(Cyclopenta-1,3-dien-1-ylmethylidene)propanedinitrile
CID 12599822
(E)-4-methylidenepent-2-enedinitrile
CID 18997364
4-Methylidenepent-2-enedinitrile
CID 54230746
Indene-2,2-dicarbonitrile
CID 154029382
Hepta-2,4-dienedinitrile
CID 164081136

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-diene-1,1-dicarbonitrile?
The IUPAC name of cyclopenta-2,4-diene-1,1-dicarbonitrile (CID 13445029) is cyclopenta-2,4-diene-1,1-dicarbonitrile.
What is the SMILES notation for cyclopenta-2,4-diene-1,1-dicarbonitrile?
The canonical SMILES for cyclopenta-2,4-diene-1,1-dicarbonitrile is N#CC1(C#N)C=CC=C1.
What is the InChIKey of cyclopenta-2,4-diene-1,1-dicarbonitrile?
The InChIKey is DOBHRUPBMGMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2/c8-5-7(6-9)3-1-2-4-7/h1-4H.
What are the key properties of cyclopenta-2,4-diene-1,1-dicarbonitrile?
cyclopenta-2,4-diene-1,1-dicarbonitrile has a molecular weight of 116.12 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1,1-dicarbonitrile is sourced from PubChem (CID 13445029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).