cyclohexa-3,5-diene-1,2-dicarbonitrile

C8H6N2 — CID 14338146

IUPACcyclohexa-3,5-diene-1,2-dicarbonitrile
SMILESN#CC1C=CC=CC1C#N
InChIInChI=1S/C8H6N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,7-8H
InChIKeyTXYOGBHPXHIOAD-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.39
Rot. Bonds

About cyclohexa-3,5-diene-1,2-dicarbonitrile

cyclohexa-3,5-diene-1,2-dicarbonitrile (PubChem CID 14338146) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-dicarbonitrile
PubChem CID14338146
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namecyclohexa-3,5-diene-1,2-dicarbonitrile
SMILESN#CC1C=CC=CC1C#N
InChIInChI=1S/C8H6N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,7-8H
InChIKeyTXYOGBHPXHIOAD-UHFFFAOYSA-N
XLogP1.39
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,2-dicarbonitrile?
The IUPAC name of cyclohexa-3,5-diene-1,2-dicarbonitrile (CID 14338146) is cyclohexa-3,5-diene-1,2-dicarbonitrile.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-dicarbonitrile?
The canonical SMILES for cyclohexa-3,5-diene-1,2-dicarbonitrile is N#CC1C=CC=CC1C#N.
What is the InChIKey of cyclohexa-3,5-diene-1,2-dicarbonitrile?
The InChIKey is TXYOGBHPXHIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,7-8H.
What are the key properties of cyclohexa-3,5-diene-1,2-dicarbonitrile?
cyclohexa-3,5-diene-1,2-dicarbonitrile has a molecular weight of 130.15 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-dicarbonitrile is sourced from PubChem (CID 14338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).