A1IGT
Summary
| Name: | (4S)-4-pyridin-4-ylpyrrolidin-2-one |
| Formula: | C9 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 162.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-4-pyridin-4-ylpyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | NGECHVBQXAJIFW-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[C@H](CN1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | O=C1C[CH](CN1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1[C@@H]2CC(=O)NC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1C2CC(=O)NC2 |
