A1BWE
Summary
| Name: | 1-(2-hydroxyethyl)pyrrolidine-2,5-dione |
| Formula: | C6 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 143.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(2-hydroxyethyl)pyrrolidine-2,5-dione |
| OpenEye OEToolkits | 3.1.0.0 | 1-(2-hydroxyethyl)pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCC(=O)N1CCO |
| InChI | InChI | 1.06 | InChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h8H,1-4H2 |
| InChIKey | InChI | 1.06 | TWYIPMITVXPNEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN1C(=O)CCC1=O |
| SMILES | CACTVS | 3.385 | OCCN1C(=O)CCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CC(=O)N(C1=O)CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(=O)N(C1=O)CCO |
