TL;DR: 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine (CAS 1005117-46-3) is a chemical compound with molecular formula C14H23NO2 and molecular weight 237.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine
Also Known As: 1-[(2-cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine, 1-((2-(cyclohex-3-en-1-yl)-1,3-dioxolan-4-yl)methyl)pyrrolidine, 1-[[2-(1-cyclohex-3-enyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine, 1-{[2-(CYCLOHEX-3-EN-1-YL)-1,3-DIOXOLAN-4-YL]METHYL}PYRROLIDINE
| Molecular Formula | C14H23NO2 |
| Molecular Weight | 237.17288 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.17288 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | C1CCN(C1)CC2COC(O2)C3CCC=CC3 |
| InChIKey | DOIMBTOKESEEMG-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine. With a topological polar surface area (TPSA) of 21.7 Ų, 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine 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 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine is 1005117-46-3.
The molecular formula of 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine is C14H23NO2.
The molecular weight of 1-[(2-Cyclohex-3-en-1-yl-1,3-dioxolan-4-yl)methyl]pyrrolidine is 237.17288 g/mol.
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