1-(1-Oxo-2-butenyl)pyrrolidine
TL;DR: 1-(1-Oxo-2-butenyl)pyrrolidine (CAS 91106-77-3) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylbut-2-en-1-one
Also Known As: 1(1-oxo-2-butenyl)pyrrolidine, 1-(1-oxo-2-butenyl)pyrrolidine, 1-pyrrolidin-1-ylbut-2-en-1-one, 1-pyrrolidin-1-yl-but-2-en-1-one, Pyrrolidine,1-(1-oxo-2-butenyl)-
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 91106-77-3 |
|---|---|
| SMILES | CC=CC(=O)N1CCCC1 |
| InChIKey | MMSZAOIJVLACFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Oxo-2-butenyl)pyrrolidine (CAS 91106-77-3), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 1-pyrrolidin-1-ylbut-2-en-1-one.
Chemical Property Profile of 1-(1-Oxo-2-butenyl)pyrrolidine
Property Insights of 1-(1-Oxo-2-butenyl)pyrrolidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Oxo-2-butenyl)pyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(1-Oxo-2-butenyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Oxo-2-butenyl)pyrrolidine 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-(1-Oxo-2-butenyl)pyrrolidine?
The CAS number of 1-(1-Oxo-2-butenyl)pyrrolidine is 91106-77-3.
What is the molecular formula of 1-(1-Oxo-2-butenyl)pyrrolidine?
The molecular formula of 1-(1-Oxo-2-butenyl)pyrrolidine is C8H13NO.
What is the molecular weight of 1-(1-Oxo-2-butenyl)pyrrolidine?
The molecular weight of 1-(1-Oxo-2-butenyl)pyrrolidine is 139.10 g/mol.
Where can I buy 1-(1-Oxo-2-butenyl)pyrrolidine?
You can request a quote for 1-(1-Oxo-2-butenyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Oxo-2-butenyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Oxo-2-butenyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.