TL;DR: 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- (CAS 1071536-88-3) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylbut-3-yn-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
Also Known As: ZERO/003362, 5-(1,1-dimethylprop-2-ynyl)-5-azabicyclo[4.3.0]nonan-2-one, 1-(2-methylbut-3-yn-2-yl)-octahydro-1H-cyclopenta[b]pyridin-4-one, 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro-,
(4aS,7aS)-1-(1,1-dimethylprop-2-yn-1-yl)octahydro-4H-cyclopenta[b]pyridin-4 -one
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.14667 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.14667 Da |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
| SMILES | CC(C)(C#C)N1CCC(=O)C2C1CCC2 |
| InChIKey | FZSAALMSLBQPTN-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro-. With a topological polar surface area (TPSA) of 20.3 Ų, 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- is 1071536-88-3.
The molecular formula of 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- is C13H19NO.
The molecular weight of 4H-Cyclopenta[b]pyridin-4-one, 1-(1,1-dimethyl-2-propynyl)octahydro- is 205.14667 g/mol.
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