TL;DR: (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE (CAS 1654011-22-9) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carbaldehyde
Also Known As: (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE, 2-(morpholin-4-yl)-3-[(3-nitrophenyl)methylidene]cyclopent-1-ene-1-carbaldehyde, 2-Morpholin-4-yl-3-(3-nitro-benzylidene)-cyclopent-1-enecarbaldehyde, (e)-2-Morpholino-3-(3-nitrobenzylidene)cyclopent-1-ene-1-carbaldehyde, (3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carbaldehyde
| Molecular Formula | C17H18N2O4 |
| Molecular Weight | 314.12665 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12665 Da |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
| SMILES | C\1CC(=C(/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3)C=O |
| InChIKey | DSBSXSXSJKFLBW-GXDHUFHOSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE. Following Lipinski's Rule of Five, (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE is 1654011-22-9.
The molecular formula of (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE is C17H18N2O4.
The molecular weight of (3E)-2-(MORPHOLIN-4-YL)-3-[(3-NITROPHENYL)METHYLIDENE]CYCLOPENT-1-ENE-1-CARBALDEHYDE is 314.12665 g/mol.
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