J5V
Summary
| Name: | N-(3-phenylprop-2-yn-1-yl)acetamide |
| Formula: | C11 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 173.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-phenylprop-2-yn-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-phenylprop-2-ynyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccccc1)#CCNC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | MEDMJWLHQZDCBX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC#Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCC#Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC#Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC#Cc1ccccc1 |
