1-Propioloylpyrrolidine
TL;DR: 1-Propioloylpyrrolidine (CAS 82038-67-3) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylprop-2-yn-1-one
Also Known As: 1-(pyrrolidin-1-yl)prop-2-yn-1-one, 1-propioloylpyrrolidine, pyrrolidyl propiolate, 1-pyrrolidin-1-ylprop-2-yn-1-one, 1-Pyrrolizino-2-propyne-1-one
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 82038-67-3 |
|---|---|
| SMILES | C#CC(=O)N1CCCC1 |
| InChIKey | GYMKXYIJIPTPRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propioloylpyrrolidine (CAS 82038-67-3), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 1-pyrrolidin-1-ylprop-2-yn-1-one.
Chemical Property Profile of 1-Propioloylpyrrolidine
Property Insights of 1-Propioloylpyrrolidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propioloylpyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Propioloylpyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propioloylpyrrolidine 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
Frequently Asked Questions
What is the CAS number of 1-Propioloylpyrrolidine?
The CAS number of 1-Propioloylpyrrolidine is 82038-67-3.
What is the molecular formula of 1-Propioloylpyrrolidine?
The molecular formula of 1-Propioloylpyrrolidine is C7H9NO.
What is the molecular weight of 1-Propioloylpyrrolidine?
The molecular weight of 1-Propioloylpyrrolidine is 123.07 g/mol.
Where can I buy 1-Propioloylpyrrolidine?
You can request a quote for 1-Propioloylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propioloylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Propioloylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.