A1CD0
Summary
| Name: | 5-methylfuran-2-carboxamide |
| Formula: | C6 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 125.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-methylfuran-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-methylfuran-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1ccc(C)o1 |
| InChI | InChI | 1.06 | InChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8) |
| InChIKey | InChI | 1.06 | HTLIXYXARPLOIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(o1)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(o1)C(=O)N |
