A1I3A
Summary
| Name: | (3~{S})-3-azanyl-1-phenyl-pyrrolidin-2-one |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-1-phenyl-pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | CLKQZOVQZNETMH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCN(C1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH]1CCN(C1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC[C@@H](C2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCC(C2=O)N |
