KK0
Summary
| Name: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one |
| Formula: | C10 H10 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 195.645 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | BSYBLMDNOUEPRW-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)[C@@H]2CCC(=O)N2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)[CH]2CCC(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H]2CCC(=O)N2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCC(=O)N2)Cl |
