TL;DR: (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione (CAS 166878-52-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,6S,7S)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione, rel-(3aR,4R,7S,7aS)-8-(1-methylethylidene)hexahydro-1H-4,7-methanoisoindole-1,3-dione, rac-(1R,2R,6S,7S)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione, (1R,2R,6S,7S)-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0?,?]decane-3,5-dione, (1S,2S,6R,7R)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 362.0 |
| SMILES | CC(=C1[C@@H]2CC[C@H]1[C@H]3[C@@H]2C(=O)NC3=O)C |
| InChIKey | MOTBPVCOQQBGNY-SWOGREBESA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione. With a topological polar surface area (TPSA) of 46.2 Ų, (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione has 1 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 (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione is 166878-52-0.
The molecular formula of (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione is C12H15NO2.
The molecular weight of (1R,2R,6S,7S)-10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]decane-3,5-dione is 205.11028 g/mol.
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