3-Pyrrolidone, 1-methyl-
TL;DR: 3-Pyrrolidone, 1-methyl- (CAS 68165-06-0) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyrrolidin-3-one
Also Known As: 1-Methylpyrrolidin-3-one, 1-methyl-3-pyrrolidinone, null, 3-Pyrrolidinone, 1-methyl-, 1-methyl-3-pyrrolidone
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 68165-06-0 |
|---|---|
| SMILES | CN1CCC(=O)C1 |
| InChIKey | SLPUTJFVMJPMKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyrrolidone, 1-methyl- (CAS 68165-06-0), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 1-methylpyrrolidin-3-one.
Chemical Property Profile of 3-Pyrrolidone, 1-methyl-
Property Insights of 3-Pyrrolidone, 1-methyl-
The XLogP value of -0.2 indicates that 3-Pyrrolidone, 1-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Pyrrolidone, 1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrrolidone, 1-methyl- 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 3-Pyrrolidone, 1-methyl-?
The CAS number of 3-Pyrrolidone, 1-methyl- is 68165-06-0.
What is the molecular formula of 3-Pyrrolidone, 1-methyl-?
The molecular formula of 3-Pyrrolidone, 1-methyl- is C5H9NO.
What is the molecular weight of 3-Pyrrolidone, 1-methyl-?
The molecular weight of 3-Pyrrolidone, 1-methyl- is 99.07 g/mol.
Where can I buy 3-Pyrrolidone, 1-methyl-?
You can request a quote for 3-Pyrrolidone, 1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrrolidone, 1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrrolidone, 1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.