(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile

C12H10N2 — CID 10821295

IUPAC(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile
SMILESCC1=C(C#N)/C=C\C(C)=C(C#N)/C=C\1
InChIInChI=1S/C12H10N2/c1-9-3-5-12(8-14)10(2)4-6-11(9)7-13/h3-6H,1-2H3/b5-3-,6-4-,9-3-,10-4-,11-6-,11-9+,12-5-,12-10+
InChIKeyXDHKDPWHXAIUQM-JZWKCKJCSA-N
MW182.23 g/mol
LogP2.79
Rot. Bonds

About (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile

(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile (PubChem CID 10821295) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile.

Molecular Properties

Compound Name(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile
PubChem CID10821295
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile
SMILESCC1=C(C#N)/C=C\C(C)=C(C#N)/C=C\1
InChIInChI=1S/C12H10N2/c1-9-3-5-12(8-14)10(2)4-6-11(9)7-13/h3-6H,1-2H3/b5-3-,6-4-,9-3-,10-4-,11-6-,11-9+,12-5-,12-10+
InChIKeyXDHKDPWHXAIUQM-JZWKCKJCSA-N
XLogP2.79
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile 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 (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile?
The IUPAC name of (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile (CID 10821295) is (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile.
What is the SMILES notation for (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile?
The canonical SMILES for (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile is CC1=C(C#N)/C=C\C(C)=C(C#N)/C=C\1.
What is the InChIKey of (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile?
The InChIKey is XDHKDPWHXAIUQM-JZWKCKJCSA-N. The full InChI is InChI=1S/C12H10N2/c1-9-3-5-12(8-14)10(2)4-6-11(9)7-13/h3-6H,1-2H3/b5-3-,6-4-,9-3-,10-4-,11-6-,11-9+,12-5-,12-10+.
What are the key properties of (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile?
(1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E,7Z)-2,6-dimethylcycloocta-1,3,5,7-tetraene-1,5-dicarbonitrile is sourced from PubChem (CID 10821295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).