(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile

C16N8 — CID 122363126

IUPAC(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile
SMILESN#CC1=C(C#N)/C(C#N)=C(C#N)\C(C#N)=C(C#N)/C(C#N)=C\1C#N
InChIInChI=1S/C16N8/c17-1-9-10(2-18)12(4-20)14(6-22)16(8-24)15(7-23)13(5-21)11(9)3-19/b10-9-,11-9-,12-10-,13-11-,14-12-,15-13-,16-14-,16-15-
InChIKeyGWGDBBVCZZRGGQ-NNXHHTRFSA-N
MW304.23 g/mol
LogP1.38
Rot. Bonds

About (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile

(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile (PubChem CID 122363126) has the molecular formula C16N8 and a molecular weight of 304.23 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile
PubChem CID122363126
Molecular FormulaC16N8
Molecular Weight304.23 g/mol
Exact Mass304.02
IUPAC Name(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile
SMILESN#CC1=C(C#N)/C(C#N)=C(C#N)\C(C#N)=C(C#N)/C(C#N)=C\1C#N
InChIInChI=1S/C16N8/c17-1-9-10(2-18)12(4-20)14(6-22)16(8-24)15(7-23)13(5-21)11(9)3-19/b10-9-,11-9-,12-10-,13-11-,14-12-,15-13-,16-14-,16-15-
InChIKeyGWGDBBVCZZRGGQ-NNXHHTRFSA-N
XLogP1.38
TPSA190.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile with MolForge

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Related Compounds

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CID 86210139
5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
CID 126498452
2,4,5-trihydroxy-3,6-dioxocyclohexa-1,4-diene-1-carbonitrile
CID 137146961
4,5-diisocyano-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
CID 59711136
acetonitrile;4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
CID 175508595
4,5-dimethyl-2-oxopyrrole-3-carbonitrile
CID 90434042
3-oxoindene-1,2-dicarbonitrile
CID 154003103
cyclobuta-1,3-diene-1,3-dicarbonitrile
CID 101482688
benzene-1,2,4,5-tetracarbonitrile
CID 12838
azane;benzene-1,4-dicarbonitrile
CID 174336566
2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium
CID 129352913
3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile
CID 129206094

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile?
The IUPAC name of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile (CID 122363126) is (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile?
The canonical SMILES for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile is N#CC1=C(C#N)/C(C#N)=C(C#N)\C(C#N)=C(C#N)/C(C#N)=C\1C#N.
What is the InChIKey of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile?
The InChIKey is GWGDBBVCZZRGGQ-NNXHHTRFSA-N. The full InChI is InChI=1S/C16N8/c17-1-9-10(2-18)12(4-20)14(6-22)16(8-24)15(7-23)13(5-21)11(9)3-19/b10-9-,11-9-,12-10-,13-11-,14-12-,15-13-,16-14-,16-15-.
What are the key properties of (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile?
(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile has a molecular weight of 304.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile is sourced from PubChem (CID 122363126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).