YVW
Summary
| Name: | (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one |
| Formula: | C12 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 215.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O/c16-12-7-13-11(6-14-12)10-5-8-3-1-2-4-9(8)15-10/h1-5,11,13,15H,6-7H2,(H,14,16)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | AKZZWJXICXKZDI-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CN[C@@H](CN1)c2[nH]c3ccccc3c2 |
| SMILES | CACTVS | 3.385 | O=C1CN[CH](CN1)c2[nH]c3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)[C@@H]3CNC(=O)CN3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc([nH]2)C3CNC(=O)CN3 |
