TL;DR: 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone (CAS 10501-54-9) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-nitroethylideneamino)phenyl]ethanone
Also Known As: 2-(2-nitroethylideneamino)acetophenone, 1-[2-(2-nitroethylideneamino)phenyl]ethanone, Ethanone, 1-[2-[(2-nitroethylidene)amino]phenyl]-, 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.06914 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06914 Da |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
| SMILES | CC(=O)C1=CC=CC=C1N=CC[N+](=O)[O-] |
| InChIKey | FQTHIFBANHTYAN-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone. Following Lipinski's Rule of Five, 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone is 10501-54-9.
The molecular formula of 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone is C10H10N2O3.
The molecular weight of 1-(2-{[(E)-2-nitroethylidene]amino}phenyl)ethanone is 206.06914 g/mol.
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