5-Butyl-5-methyl-1-pyrroline 1-oxide
TL;DR: 5-Butyl-5-methyl-1-pyrroline 1-oxide (CAS 121033-80-5) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
Also Known As: 5-Bmpo, 5-Butyl-5-methyl-1-pyrroline 1-oxide, 2-butyl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium, 5-n-butyl-5-methyl-1-pyrroline N-oxide, 2H-Pyrrole, 2-butyl-3,4-dihydro-2-methyl-, 1-oxide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NO |
| Molecular Weight | 155.13101 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.13101 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | CCCCC1(CCC=[N+]1[O-])C |
| InChIKey | OMTJVZGFTLFFBH-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butyl-5-methyl-1-pyrroline 1-oxide
Property Insights of 5-Butyl-5-methyl-1-pyrroline 1-oxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-5-methyl-1-pyrroline 1-oxide. With a topological polar surface area (TPSA) of 28.8 Ų, 5-Butyl-5-methyl-1-pyrroline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-5-methyl-1-pyrroline 1-oxide 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 5-Butyl-5-methyl-1-pyrroline 1-oxide?
The CAS number of 5-Butyl-5-methyl-1-pyrroline 1-oxide is 121033-80-5.
What is the molecular formula of 5-Butyl-5-methyl-1-pyrroline 1-oxide?
The molecular formula of 5-Butyl-5-methyl-1-pyrroline 1-oxide is C9H17NO.
What is the molecular weight of 5-Butyl-5-methyl-1-pyrroline 1-oxide?
The molecular weight of 5-Butyl-5-methyl-1-pyrroline 1-oxide is 155.13101 g/mol.
Where can I buy 5-Butyl-5-methyl-1-pyrroline 1-oxide?
You can request a quote for 5-Butyl-5-methyl-1-pyrroline 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butyl-5-methyl-1-pyrroline 1-oxide?
Yes, CoreyChem provides custom synthesis services for 5-Butyl-5-methyl-1-pyrroline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.