(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile

C10H6N2 — CID 134982930

IUPAC(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)/C=C\C=C/C=C\1
InChIInChI=1S/C10H6N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-6H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-,10-9-
InChIKeyYLZPUPNXNFRPNY-GNGASDGLSA-N
MW154.17 g/mol
LogP2.01
Rot. Bonds

About (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile

(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile (PubChem CID 134982930) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile
PubChem CID134982930
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)/C=C\C=C/C=C\1
InChIInChI=1S/C10H6N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-6H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-,10-9-
InChIKeyYLZPUPNXNFRPNY-GNGASDGLSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile?
The IUPAC name of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile (CID 134982930) is (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile?
The canonical SMILES for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile is N#CC1=C(C#N)/C=C\C=C/C=C\1.
What is the InChIKey of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile?
The InChIKey is YLZPUPNXNFRPNY-GNGASDGLSA-N. The full InChI is InChI=1S/C10H6N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-6H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-,10-9-.
What are the key properties of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile?
(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile has a molecular weight of 154.17 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarbonitrile is sourced from PubChem (CID 134982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).