A1BFH
Summary
| Name: | N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(6-methyl-1,3-benzodioxol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)Nc1cc2OCOc2cc1C |
| InChI | InChI | 1.06 | InChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.06 | AQEGZDFRJZQYSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc2OCOc2cc1C |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc2OCOc2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(cc1NC(=O)C)OCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(cc1NC(=O)C)OCO2 |
