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 |