TL;DR: 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one (CAS 1212466-10-8) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
Also Known As: TimTec1_007937, IDI1_033591, BAS 05228780, 3,3-dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one, 2,2-dimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-3-one
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.15215 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.15215 Da |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
| SMILES | CC1(C2CCC(C2)(C1=O)C(=O)N3CCOCC3)C |
| InChIKey | FHFSQSQMZAGBOP-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one. With a topological polar surface area (TPSA) of 46.6 Ų, 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one 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 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one is 1212466-10-8.
The molecular formula of 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one is C14H21NO3.
The molecular weight of 3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one is 251.15215 g/mol.
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