TL;DR: (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide (CAS 1164456-68-1) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1Z)-1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]benzamide
Also Known As: BIM-0034558.P001, (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide, N-[1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene)ethyl]benzamide, N-[(1Z)-1-(6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene)ethyl]benzamide, N-[(1Z)-1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene)ethyl]benzamide
| Molecular Formula | C17H19NO2 |
| Molecular Weight | 269.14157 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.14157 Da |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
| SMILES | C/C(=C/1\C2C(C2(C)C)CC1=O)/NC(=O)C3=CC=CC=C3 |
| InChIKey | AEGPEQPADQUZBA-GXDHUFHOSA-N |
The XLogP value of 3.0 indicates that (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide 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 (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide is 1164456-68-1.
The molecular formula of (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide is C17H19NO2.
The molecular weight of (Z)-N-(1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)benzamide is 269.14157 g/mol.
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