PKN
Summary
| Name: | 1H-pyrrole-3-carboxylic acid |
| Formula: | C5 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 111.099 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-pyrrole-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-pyrrole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc[NH]c1 |
| InChI | InChI | 1.03 | InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8) |
| InChIKey | InChI | 1.03 | DOYOPBSXEIZLRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c[nH]cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c[nH]cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]cc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]cc1C(=O)O |
