J5J
Summary
| Name: | N-[(E)-(3-methylphenyl)methylidene]acetamide |
| Formula: | C10 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 161.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(E)-(3-methylphenyl)methylidene]acetamide |
| OpenEye OEToolkits | 2.0.6 | (~{N}~{E})-~{N}-[(3-methylphenyl)methylidene]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)N=[C@H]c1cc(ccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3-7H,1-2H3/b11-7+ |
| InChIKey | InChI | 1.03 | KRUUSEWHYKJFLD-YRNVUSSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N=Cc1cccc(C)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)N=Cc1cccc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)/C=N/C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)C=NC(=O)C |
