W5H
Summary
| Name: | (1-methyl-1H-pyrrol-2-yl)acetic acid |
| Formula: | C7 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 139.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-methyl-1H-pyrrol-2-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(1-methylpyrrol-2-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)Cc1cccn1C |
| InChI | InChI | 1.06 | InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.06 | SYYOUHJJSOLSJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cccc1CC(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cccc1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cccc1CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cccc1CC(=O)O |
