XKY
Summary
| Name: | (4S)-imidazolidine-4-carbonitrile |
| Formula: | C4 H7 N3 |
| Formal charge: | 0 |
| Formula weight: | 97.118 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-imidazolidine-4-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-imidazolidine-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1NCNC1 |
| InChI | InChI | 1.03 | InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2 |
| InChIKey | InChI | 1.03 | FEQLHIQTBHWUKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[C@@H]1CNCN1 |
| SMILES | CACTVS | 3.385 | N#C[CH]1CNCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](NCN1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(NCN1)C#N |
