cyclopenta-1,3-diene-1,3-dicarbonitrile

C7H4N2 — CID 12846953

IUPACcyclopenta-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=CCC(C#N)=C1
InChIInChI=1S/C7H4N2/c8-4-6-1-2-7(3-6)5-9/h1,3H,2H2
InChIKeyVEPRCMDQUCNDKY-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.29
Rot. Bonds

About cyclopenta-1,3-diene-1,3-dicarbonitrile

cyclopenta-1,3-diene-1,3-dicarbonitrile (PubChem CID 12846953) has the molecular formula C7H4N2 and a molecular weight of 116.12 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1,3-dicarbonitrile
PubChem CID12846953
Molecular FormulaC7H4N2
Molecular Weight116.12 g/mol
Exact Mass116.04
IUPAC Namecyclopenta-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=CCC(C#N)=C1
InChIInChI=1S/C7H4N2/c8-4-6-1-2-7(3-6)5-9/h1,3H,2H2
InChIKeyVEPRCMDQUCNDKY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentadienecarbonitrile
CID 141366
1-Cyclopentene-1-carbonitrile
CID 137808
1-Cyano-1,4-cyclopentadiene
CID 12156911
1,3-Cyclopentadiene-1,2-dicarbonitrile
CID 12846952
4-Methyl-cyclopenta-1,3-dienecarbonitrile
CID 15566433
Cyclohexa-1,3-diene-1-carbonitrile
CID 13153847
3-Methylenecyclobutene-1-carbonitrile
CID 13159323
Cyanocycloheptatriene
CID 14415592
1,5-Cyclohexadien-1-carbonitrile
CID 18540244
2-Cyclopenta-2,4-dien-1-ylidenepropanedinitrile
CID 19901251
2-Cyclopenta-1,4-dien-1-ylacetonitrile
CID 42552646
2-Cyclopent-2-en-1-ylidenepropanedinitrile
CID 85878146

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene-1,3-dicarbonitrile?
The IUPAC name of cyclopenta-1,3-diene-1,3-dicarbonitrile (CID 12846953) is cyclopenta-1,3-diene-1,3-dicarbonitrile.
What is the SMILES notation for cyclopenta-1,3-diene-1,3-dicarbonitrile?
The canonical SMILES for cyclopenta-1,3-diene-1,3-dicarbonitrile is N#CC1=CCC(C#N)=C1.
What is the InChIKey of cyclopenta-1,3-diene-1,3-dicarbonitrile?
The InChIKey is VEPRCMDQUCNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2/c8-4-6-1-2-7(3-6)5-9/h1,3H,2H2.
What are the key properties of cyclopenta-1,3-diene-1,3-dicarbonitrile?
cyclopenta-1,3-diene-1,3-dicarbonitrile has a molecular weight of 116.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1,3-dicarbonitrile is sourced from PubChem (CID 12846953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).