CGN
Summary
| Name: | 5-OXO-PYRROLIDINE-2-CARBALDEHYDE |
| Formula: | C5 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 113.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-5-oxopyrrolidine-2-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | (2S)-5-oxopyrrolidine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC1NC(=O)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C[C@@H]1CCC(=O)N1 |
| SMILES | CACTVS | 3.341 | O=C[CH]1CCC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(=O)N[C@@H]1C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(=O)NC1C=O |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XBGYMVTXOUKXLG-BYPYZUCNSA-N |
