2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
TL;DR: 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (CAS 126279-92-3) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Also Known As: J2.199.690D, 1-Pyrrolizino-2-butyryl-5,5-dimethylcyclohexene-3-one, 2-butanoyl-5,5-dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one, 2-butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one, 2-Butyryl-5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enone
Technical Specifications
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.18854 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.18854 Da |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| SMILES | CCCC(=O)C1=C(CC(CC1=O)(C)C)N2CCCC2 |
| InChIKey | JYAGJIGLOWLZBQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Property Insights of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 37.4 Ų, 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The CAS number of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one is 126279-92-3.
What is the molecular formula of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The molecular formula of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one is C16H25NO2.
What is the molecular weight of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The molecular weight of 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one is 263.18854 g/mol.
Where can I buy 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
You can request a quote for 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Butanoyl-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.