Alpha-cyano-3-indoleacrylonitrile
2-(1H-indol-3-ylmethylidene)propanedinitrile
Also Known As: (1h-indol-3-ylmethylene)malononitrile|2-(1H-indol-3-ylmethylidene)propanedinitrile|2-((1H-Indol-3-yl)methylene)malononitrile|Maybridge1_007156|Indole-Containing Inhibitor 6|BDBM5172|HMS561N06|(1H-indol-3-ylmethylidene)propanedinitrile|TPL0450|Propanedinitrile,2-(1H-indol-3-ylmethylene)-|2-(1H-Indol-3-ylmethylene)malononitrile|KST-1A8133|2-[(1H-indol-3-yl)methylidene]propanedinitrile|1,1-dicyano-2-(3-indolyl)ethylene|ALPHA-CYANO-3-INDOLEACRYLONITRILE|2-(Indol-3-ylmethylene)-malononitrile|MS-6742|2-(1H-indol-3-ylmethylene)propanedinitrile|KS-000028S9|(indol-3-ylmethylene)methane-1,1-dicarbonitrile|NCGC00328900-01|BAS 00287197|2-(1H-Indol-3-ylmethylene)-malononitrile
| Molecular Formula | C12H7N3 |
|---|---|
| Molecular Weight | 193.064 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.064 |
| Monoisotopic Mass | 193.064 |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 5154-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C#N |
| InChIKey | KCGMQWDGOQQAGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyano-3-indoleacrylonitrile (CAS 5154-39-2), with molecular formula C12H7N3 and molecular weight 193.064 g/mol. IUPAC: 2-(1H-indol-3-ylmethylidene)propanedinitrile.