3BO
Summary
| Name: | 1H-indol-3-ylacetonitrile |
| Formula: | C10 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 156.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-indol-3-ylacetonitrile |
| OpenEye OEToolkits | 1.9.2 | 2-(1H-indol-3-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCc2c1ccccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 |
| InChIKey | InChI | 1.03 | DMCPFOBLJMLSNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#CCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | N#CCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(c[nH]2)CC#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(c[nH]2)CC#N |
