3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide
TL;DR: 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide (CAS 62020-94-4) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
Also Known As: 2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one, 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide, 5,5-Dimethyl-3-oxo-1-pyrroline, 1-oxide, 5,5-dimethyl-3-oxo-4,5-dihydro-3h-pyrrole 1-oxide, 5,5-Dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.3189 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 181.49689 |
Chemical Identifiers
| CAS Number | 62020-94-4 |
|---|---|
| SMILES | CC1(CC(=O)C=[N+]1[O-])C |
Product Overview
3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide (CAS 62020-94-4), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one.
Chemical Property Profile of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide
Property Insights of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide
The XLogP value of 0.3189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide. With a topological polar surface area (TPSA) of 43.14 Ų, 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide?
The CAS number of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide is 62020-94-4.
What is the molecular formula of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide?
The molecular formula of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide is C6H9NO2.
What is the molecular weight of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide?
The molecular weight of 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide is 127.06 g/mol.
Where can I buy 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide?
You can request a quote for 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.