N-(cyanomethyl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(cyanomethyl)-3-(3-nitrophenyl)prop-2-enamide
N-(cyanomethyl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1010 |
| Compound Name: | N-(cyanomethyl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 231.21 |
| Molecular Formula: | C11 H9 N3 O3 |
| Smiles: | C(C#N)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5853 |
| logD: | 1.5853 |
| logSw: | -2.1578 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.425 |
| InChI Key: | AFRRTBVHVZPJFI-UHFFFAOYSA-N |