TL;DR: 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- (CAS 112483-21-3) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(azetidin-1-yl)but-2-ynyl]-5-methylpyrrolidin-2-one
Also Known As: 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl-, 1-[4-(azetidin-1-yl)but-2-ynyl]-5-methylpyrrolidin-2-one, 1-[4-(Azetidin-1-yl)-2-butynyl]-5-methylpyrrolidin-2-one, 1-[4-(azetidin-1-yl)but-2-ynyl]-5-methyl-pyrrolidin-2-one, 1-[4-(AZETIDIN-1-YL)BUT-2-YN-1-YL]-5-METHYLPYRROLIDIN-2-ONE
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.1419 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | CC1CCC(=O)N1CC#CCN2CCC2 |
| InChIKey | RMHKTTNQONQQRB-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl-. With a topological polar surface area (TPSA) of 23.6 Ų, 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- has 0 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-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- is 112483-21-3.
The molecular formula of 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- is C12H18N2O.
The molecular weight of 2-Pyrrolidinone, 1-[4-(1-azetidinyl)-2-butyn-1-yl]-5-methyl- is 206.1419 g/mol.
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