BAQ
Summary
| Name: | pyrrolidin-2-one |
| Formula: | C4 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 85.104 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyrrolidin-2-one |
| OpenEye OEToolkits | 1.7.6 | pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) |
| InChIKey | InChI | 1.03 | HNJBEVLQSNELDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1CCCN1 |
| SMILES | CACTVS | 3.370 | O=C1CCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC(=O)NC1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(=O)NC1 |
