TL;DR: 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- (CAS 63937-30-4) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)-2-hydroxy-5-methylidenecyclopent-2-en-1-one
Also Known As: ADMA, Anhydro-dimethylamino hexose reductone, 3-Dimethylamino-2-hydroxy-5-methylene-2-cyclopenten-1-one, 3-(dimethylamino)-2-hydroxy-5-methylidenecyclopent-2-en-1-one, 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene-
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.07898 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.07898 Da |
| Heavy Atoms | 11 |
| Complexity | 251.0 |
| SMILES | CN(C)C1=C(C(=O)C(=C)C1)O |
| InChIKey | RSSKIVGIDBXOIX-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene-. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- has 1 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 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- is 63937-30-4.
The molecular formula of 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- is C8H11NO2.
The molecular weight of 2-Cyclopenten-1-one, 3-dimethylamino-2-hydroxy-5-methylene- is 153.07898 g/mol.
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