1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
TL;DR: 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one (CAS 36508-80-2) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
Also Known As: Cotinine-N-oxide, cotinine N-oxide, (S)-Cotinine N-Oxide, Butylmethylnaphthalene, (R,S)-Cotinine N-Oxide-methyl-d3
| Molecular Formula | C10H12N2O2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.08987 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 36508-80-2 |
|---|---|
| SMILES | CN1C(CCC1=O)C2=C[N+](=CC=C2)[O-] |
| InChIKey | CIPULDKLIIVIER-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one (CAS 36508-80-2), with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol. IUPAC: 1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one.
Chemical Property Profile of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
Property Insights of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
The XLogP value of -1.3 indicates that 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one 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 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one?
The CAS number of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one is 36508-80-2.
What is the molecular formula of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one?
The molecular formula of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one is C10H12N2O2.
What is the molecular weight of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one?
The molecular weight of 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one is 192.09 g/mol.
Where can I buy 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one?
You can request a quote for 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.