PQK
Summary
| Name: | 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | VOOZJPFNBFNPEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1C2CC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1C2CC2)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1C2CC2)C)C(=O)O |
