WK4
Summary
| Name: | 2-(1H-imidazol-1-yl)ethyl dimethylcarbamate |
| Formula: | C8 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 183.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1H-imidazol-1-yl)ethyl dimethylcarbamate |
| OpenEye OEToolkits | 2.0.7 | 2-imidazol-1-ylethyl ~{N},~{N}-dimethylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cncn1CCOC(=O)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | WSDMJRGHLMKKID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)OCCn1ccnc1 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)OCCn1ccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)OCCn1ccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)OCCn1ccnc1 |
