TL;DR: 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde (CAS 15763-93-6) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(dimethylaminomethylidene)cyclopenta-2,5-diene-1,2-dicarbaldehyde
Also Known As: J1.421.527A, 4-Dimethylaminomethylene-2,5-cyclopentadiene-1,2-dicarbaldehyde, 1-(Dimethylaminomethylene)-2,4-cyclopentadiene-3,4-dicarbaldehyde, 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1,5-dicarbaldehyde, 4-(dimethylaminomethylidene)cyclopenta-2,5-diene-1,2-dicarbaldehyde
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
| SMILES | CN(C)C=C1C=C(C(=C1)C=O)C=O |
| InChIKey | RABUCQZUJUHGKS-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde. With a topological polar surface area (TPSA) of 37.4 Ų, 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde is 15763-93-6.
The molecular formula of 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde is C10H11NO2.
The molecular weight of 4-[(Dimethylamino)methylene]-2,5-cyclopentadiene-1,2-dicarbaldehyde is 177.07898 g/mol.
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