2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile

C12H4N6 — CID 148682359

IUPAC2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1[nH]cc2c(=C(C#N)C#N)[nH]cc12
InChIInChI=1S/C12H4N6/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6,17-18H
InChIKeyNRWDQCCQEFJTFK-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.11
Rot. Bonds

About 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile

2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile (PubChem CID 148682359) has the molecular formula C12H4N6 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile
PubChem CID148682359
Molecular FormulaC12H4N6
Molecular Weight232.21 g/mol
Exact Mass232.05
IUPAC Name2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1[nH]cc2c(=C(C#N)C#N)[nH]cc12
InChIInChI=1S/C12H4N6/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6,17-18H
InChIKeyNRWDQCCQEFJTFK-UHFFFAOYSA-N
XLogP-0.11
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile
CID 163864275
2-(7-bicyclo[2.2.1]hepta-2,5-dienylidene)propanedinitrile
CID 637945
2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
CID 100976409
2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
CID 89262869
2-(4,6-dioxo-1,3,5-triazinan-2-ylidene)propanedinitrile
CID 3071537
2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-[5-(dicyanomethylidene)-2,3,7,8-tetrakis(4-fluorophenyl)benzo[g]quinoxalin-10-ylidene]propanedinitrile
CID 170298397
2-(3-cyano-1,3-dihydropyrrol-2-ylidene)propanedinitrile
CID 139655139
2-(1H-pyrazin-2-ylidene)propanedinitrile
CID 13234510
2-(1H-pyridazin-6-ylidene)propanedinitrile
CID 154186234
2-(2-chlorophenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 3893073
2-[5-[5-(dicyanomethylidene)selenophen-2-ylidene]selenophen-2-ylidene]propanedinitrile
CID 139626065

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile?
The IUPAC name of 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile (CID 148682359) is 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile.
What is the SMILES notation for 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile?
The canonical SMILES for 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile is N#CC(C#N)=c1[nH]cc2c(=C(C#N)C#N)[nH]cc12.
What is the InChIKey of 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile?
The InChIKey is NRWDQCCQEFJTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4N6/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6,17-18H.
What are the key properties of 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile?
2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile has a molecular weight of 232.21 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dicyanomethylidene)-2,5-dihydropyrrolo[3,4-c]pyrrol-6-ylidene]propanedinitrile is sourced from PubChem (CID 148682359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).