IS6
Summary
| Name: | (2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide |
| Formula: | C10 H13 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.126 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | KFRJPJBTQUXTFP-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@@H]1C(=O)NCC#CBr |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH]1C(=O)NCC#CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC[C@@H]1C(=O)NCC#CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCC1C(=O)NCC#CBr |
