cyclohex-4-ene-1,3-dicarbonitrile

C8H8N2 — CID 19751217

IUPACcyclohex-4-ene-1,3-dicarbonitrile
SMILESN#CC1C=CCC(C#N)C1
InChIInChI=1S/C8H8N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-4H2
InChIKeyHTBIGCLYZMDCOI-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.62
Rot. Bonds

About cyclohex-4-ene-1,3-dicarbonitrile

cyclohex-4-ene-1,3-dicarbonitrile (PubChem CID 19751217) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is cyclohex-4-ene-1,3-dicarbonitrile.

Molecular Properties

Compound Namecyclohex-4-ene-1,3-dicarbonitrile
PubChem CID19751217
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Namecyclohex-4-ene-1,3-dicarbonitrile
SMILESN#CC1C=CCC(C#N)C1
InChIInChI=1S/C8H8N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-4H2
InChIKeyHTBIGCLYZMDCOI-UHFFFAOYSA-N
XLogP1.62
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-4-ene-1,3-dicarbonitrile?
The IUPAC name of cyclohex-4-ene-1,3-dicarbonitrile (CID 19751217) is cyclohex-4-ene-1,3-dicarbonitrile.
What is the SMILES notation for cyclohex-4-ene-1,3-dicarbonitrile?
The canonical SMILES for cyclohex-4-ene-1,3-dicarbonitrile is N#CC1C=CCC(C#N)C1.
What is the InChIKey of cyclohex-4-ene-1,3-dicarbonitrile?
The InChIKey is HTBIGCLYZMDCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-4H2.
What are the key properties of cyclohex-4-ene-1,3-dicarbonitrile?
cyclohex-4-ene-1,3-dicarbonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-4-ene-1,3-dicarbonitrile is sourced from PubChem (CID 19751217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).