QEJ
Summary
| Name: | (2S)-pyrrolidine-2-carbonitrile |
| Formula: | C5 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 96.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-pyrrolidine-2-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | (2S)-pyrrolidine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1NCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h5,7H,1-3H2/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | ALSCEGDXFJIYES-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[C@@H]1CCCN1 |
| SMILES | CACTVS | 3.385 | N#C[CH]1CCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@H](NC1)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(NC1)C#N |
