5M1
Summary
| Name: | 5-methyl-1H-pyrrole-2-carboxylic acid |
| Formula: | C6 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 125.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-1H-pyrrole-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-methyl-1H-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(C)n1)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO2/c1-4-2-3-5(7-4)6(8)9/h2-3,7H,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | UFYABCWJPZTWHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc([nH]1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc([nH]1)C(=O)O |
