T2Y
Summary
| Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1,3-benzodioxol-5-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc1c(OCO1)cc2CNC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | YFWYIWVJRPDXQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1ccc2c(c1)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1ccc2c(c1)OCO2 |
