SWJ
Summary
| Name: | 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide |
| Formula: | C8 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2/c1-3-4-7(6(2)11)10-8(12)5-9/h1,7H,4-5,9H2,2H3,(H,10,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YHGRTOPUPRQLPX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@H](CC#C)NC(=O)CN |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](CC#C)NC(=O)CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)[C@H](CC#C)NC(=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(CC#C)NC(=O)CN |
