[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide

C15H5N4- — CID 74655431

IUPAC[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide
SMILESN#CC(=C=[N-])C1=CC(=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C15H5N4/c16-6-10(7-17)14-5-15(11(8-18)9-19)13-4-2-1-3-12(13)14/h1-5H/q-1
InChIKeyKBUZJZKSNUZFMM-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.57
Rot. Bonds1

About [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide

[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide (PubChem CID 74655431) has the molecular formula C15H5N4- and a molecular weight of 241.23 g/mol. Its IUPAC name is [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide.

Molecular Properties

Compound Name[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide
PubChem CID74655431
Molecular FormulaC15H5N4-
Molecular Weight241.23 g/mol
Exact Mass241.05
IUPAC Name[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide
SMILESN#CC(=C=[N-])C1=CC(=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C15H5N4/c16-6-10(7-17)14-5-15(11(8-18)9-19)13-4-2-1-3-12(13)14/h1-5H/q-1
InChIKeyKBUZJZKSNUZFMM-UHFFFAOYSA-N
XLogP2.57
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 102364192
2-(3-methylperoxyinden-1-ylidene)propanedinitrile
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[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide
CID 102121873
2-[4-(1,3-dioxol-2-yl)-4H-naphthalen-1-ylidene]propanedinitrile
CID 88891373
2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
CID 130570318
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide
CID 139242929
2-[2-methyl-1-(2-methylsulfanylethyl)quinolin-4-ylidene]propanedinitrile
CID 176911718
2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-ylidene]propanedinitrile
CID 91995002
2-[1-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-4-ylidene]propanedinitrile
CID 132603976
2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile
CID 102383190
2-(5-methoxy-2-oxo-1-phenylpyrrol-3-ylidene)propanedinitrile
CID 101158664

Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide?
The IUPAC name of [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide (CID 74655431) is [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide.
What is the SMILES notation for [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide?
The canonical SMILES for [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide is N#CC(=C=[N-])C1=CC(=C(C#N)C#N)c2ccccc21.
What is the InChIKey of [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide?
The InChIKey is KBUZJZKSNUZFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5N4/c16-6-10(7-17)14-5-15(11(8-18)9-19)13-4-2-1-3-12(13)14/h1-5H/q-1.
What are the key properties of [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide?
[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide has a molecular weight of 241.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide is sourced from PubChem (CID 74655431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).