TL;DR: 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime (CAS 154592-55-9) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-ylidene)hydroxylamine
Also Known As: 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime, N-(2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-ylidene)hydroxylamine
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.08406 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 Da |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
| SMILES | C1C2C(CC2=NO)C3=CC=CC=C31 |
| InChIKey | MLNPPBWZIDDDGN-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime 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 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime is 154592-55-9.
The molecular formula of 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime is C11H11NO.
The molecular weight of 2,2a,7,7a-Tetrahydro-cyclobuta[a]inden-1-one oxime is 173.08406 g/mol.
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