N-methallylcaprolactam
TL;DR: N-methallylcaprolactam (CAS 122834-37-1) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylprop-2-enyl)azepan-2-one
Also Known As: N-methallylcaprolactam, 1-(2-methylallyl)azepan-2-one, 1-(2-methylprop-2-enyl)azepan-2-one, 1-(2-METHYLPROP-2-EN-1-YL)AZEPAN-2-ONE, 1-(2-Methyl-2-propenyl)hexahydro-2H-azepin-2-one
Technical Specifications
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.13101 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.13101 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC(=C)CN1CCCCCC1=O |
| InChIKey | GKZZVSQOEDRSEQ-UHFFFAOYSA-N |
Chemical Property Profile of N-methallylcaprolactam
Property Insights of N-methallylcaprolactam
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methallylcaprolactam. With a topological polar surface area (TPSA) of 20.3 Ų, N-methallylcaprolactam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methallylcaprolactam has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-methallylcaprolactam?
The CAS number of N-methallylcaprolactam is 122834-37-1.
What is the molecular formula of N-methallylcaprolactam?
The molecular formula of N-methallylcaprolactam is C10H17NO.
What is the molecular weight of N-methallylcaprolactam?
The molecular weight of N-methallylcaprolactam is 167.13101 g/mol.
Where can I buy N-methallylcaprolactam?
You can request a quote for N-methallylcaprolactam directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methallylcaprolactam?
Yes, CoreyChem provides custom synthesis services for N-methallylcaprolactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.