PQZ
Summary
| Name: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid |
| Formula: | C11 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 193.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | IRPSDSAYDMWHCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1CC2CC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C(O)=O)c(C)n1CC2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1CC2CC2)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(n1CC2CC2)C)C(=O)O |
