Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate
TL;DR: Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate (CAS 142457-99-6) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-methyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
Also Known As: Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate, AE-018/31865005, Methyl 6-methyl-2-oxo-4-pyrrolidin-1-yl-cyclohex-3-ene-1-carboxylate, methyl 6-methyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate, 6-Methyl-4-pyrrolizino-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.13649 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.13649 Da |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
| SMILES | CC1CC(=CC(=O)C1C(=O)OC)N2CCCC2 |
| InChIKey | LWAWNYQOTFYULG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate
Property Insights of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate?
The CAS number of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate is 142457-99-6.
What is the molecular formula of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate?
The molecular formula of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate is C13H19NO3.
What is the molecular weight of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate?
The molecular weight of Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate is 237.13649 g/mol.
Where can I buy Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate?
You can request a quote for Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 6-methyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.