2PC
Summary
| Name: | 3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE |
| 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 | 3,4-dihydro-2H-pyrrolium-5-carboxylate |
| OpenEye OEToolkits | 1.5.0 | 4,5-dihydro-3H-pyrrol-1-ium-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C1=[NH+]CCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)C1=[NH+]CCC1 |
| SMILES | CACTVS | 3.341 | [O-]C(=O)C1=[NH+]CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(=[NH+]C1)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(=[NH+]C1)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8) |
| InChIKey | InChI | 1.03 | RHTAIKJZSXNELN-UHFFFAOYSA-N |
