2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile

C14H8N4 — CID 616047

IUPAC2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCc1cc(=C(C#N)C#N)c(C)cc1=C(C#N)C#N
InChIInChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3
InChIKeyDFJXWQJAMNCPII-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.70
Rot. Bonds

About 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 616047) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID616047
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCc1cc(=C(C#N)C#N)c(C)cc1=C(C#N)C#N
InChIInChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3
InChIKeyDFJXWQJAMNCPII-UHFFFAOYSA-N
XLogP0.70
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tetracyanoquinodimethane
CID 73697
2-Cyclohexenylidenemalononitrile
CID 556620
Propanedinitrile, 2,2'-(2-methyl-2,5-cyclohexadiene-1,4-diylidene)bis-
CID 605796
2,6-Dimethylhepta-1,5-diene-1,1-dicarbonitrile
CID 318245
2-(Cyclohepta-1,3,5-trien-1-ylmethylidene)propanedinitrile
CID 15739128
2,5,7,7,8,8-Hexacyanoquinodimethane
CID 12236236
2-(3-Methylcyclohex-2-en-1-ylidene) malononitrile
CID 12311690
4-Methyl-2-methylidenepent-3-enenitrile
CID 21555220
2-[4-(Cyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 21705314
8-Dicyanoquinodimethane
CID 22556345
Dimethyltetracyanoquinodimethane
CID 129673795
Tricyanoquinodimethane
CID 129697341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 616047) is 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile is Cc1cc(=C(C#N)C#N)c(C)cc1=C(C#N)C#N.
What is the InChIKey of 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is DFJXWQJAMNCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3.
What are the key properties of 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 232.25 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 616047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).