6EX
Summary
| Name: | 1-(1H-imidazol-1-yl)ethan-1-one |
| Formula: | C5 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 110.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1H-imidazol-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.4 | 1-imidazol-1-ylethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(n1cncc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3 |
| InChIKey | InChI | 1.03 | VIHYIVKEECZGOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)n1ccnc1 |
| SMILES | CACTVS | 3.385 | CC(=O)n1ccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)n1ccnc1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)n1ccnc1 |
