[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide

C10H4N3- — CID 139242929

IUPAC[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide
SMILESN#CC(=C=[N-])c1cccc(C#N)c1
InChIInChI=1S/C10H4N3/c11-5-8-2-1-3-9(4-8)10(6-12)7-13/h1-4H/q-1
InChIKeyMYKHJBLEFMSHSZ-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.70
Rot. Bonds1

About [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide

[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide (PubChem CID 139242929) has the molecular formula C10H4N3- and a molecular weight of 166.16 g/mol. Its IUPAC name is [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide.

Molecular Properties

Compound Name[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide
PubChem CID139242929
Molecular FormulaC10H4N3-
Molecular Weight166.16 g/mol
Exact Mass166.04
IUPAC Name[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide
SMILESN#CC(=C=[N-])c1cccc(C#N)c1
InChIInChI=1S/C10H4N3/c11-5-8-2-1-3-9(4-8)10(6-12)7-13/h1-4H/q-1
InChIKeyMYKHJBLEFMSHSZ-UHFFFAOYSA-N
XLogP1.70
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-cyanophenyl)-3,3,3-trifluoroprop-1-enylidene]azanide
CID 139243045
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyanobenzenecarbothioamide
CID 23279245
3-cyanobenzoic acid;silver
CID 88821173
3-(2-cyanoacetyl)benzonitrile
CID 23423882
3-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 12540170
3-cyano-N,N-dimethylbenzenecarbothioamide
CID 156695114
3-(3-aminopropanoyl)benzonitrile
CID 117277123
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275
3-(3-bromopropanoyl)benzonitrile
CID 91338411
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
methyl 4-(3-cyanophenyl)-2,4-dioxobutanoate
CID 63990922

Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide?
The IUPAC name of [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide (CID 139242929) is [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide.
What is the SMILES notation for [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide?
The canonical SMILES for [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide is N#CC(=C=[N-])c1cccc(C#N)c1.
What is the InChIKey of [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide?
The InChIKey is MYKHJBLEFMSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N3/c11-5-8-2-1-3-9(4-8)10(6-12)7-13/h1-4H/q-1.
What are the key properties of [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide?
[2-cyano-2-(3-cyanophenyl)ethenylidene]azanide has a molecular weight of 166.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-(3-cyanophenyl)ethenylidene]azanide is sourced from PubChem (CID 139242929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).