CNV
Summary
| Name: | propanenitrile |
| Formula: | C3 H5 N |
| Formal charge: | 0 |
| Formula weight: | 55.078 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propanenitrile |
| OpenEye OEToolkits | 1.9.2 | propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCC |
| InChI | InChI | 1.03 | InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 |
| InChIKey | InChI | 1.03 | FVSKHRXBFJPNKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC#N |
| SMILES | CACTVS | 3.385 | CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC#N |
