T7Y
Summary
| Name: | N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(c1cccc(c1)NC(C)=O)CCCC2=O |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15) |
| InChIKey | InChI | 1.03 | CNXMKORZVSCVGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)N2CCCC2=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)N2CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)N2CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)N2CCCC2=O |
