(3Z)-3-ethylidenepyrrolidin-2-one
TL;DR: (3Z)-3-ethylidenepyrrolidin-2-one (CAS 27428-45-1) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-ethylidenepyrrolidin-2-one
Also Known As: Vigabatrin Impurity 16, 3-Ethylidene-2-pyrrolizinone, trans-3-Ethylidene-2-pyrrolidone, (3Z)-3-ethylidenepyrrolidin-2-one, 3-ETHYLIDENEPYRROLIDIN-2-ONE
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 0.4526 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 137.46396 |
Chemical Identifiers
| CAS Number | 27428-45-1 |
|---|---|
| SMILES | C/C=C\1/CCNC1=O |
Product Overview
(3Z)-3-ethylidenepyrrolidin-2-one (CAS 27428-45-1), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: (3Z)-3-ethylidenepyrrolidin-2-one.
Chemical Property Profile of (3Z)-3-ethylidenepyrrolidin-2-one
Property Insights of (3Z)-3-ethylidenepyrrolidin-2-one
The XLogP value of 0.4526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-ethylidenepyrrolidin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, (3Z)-3-ethylidenepyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-ethylidenepyrrolidin-2-one has 1 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 (3Z)-3-ethylidenepyrrolidin-2-one?
The CAS number of (3Z)-3-ethylidenepyrrolidin-2-one is 27428-45-1.
What is the molecular formula of (3Z)-3-ethylidenepyrrolidin-2-one?
The molecular formula of (3Z)-3-ethylidenepyrrolidin-2-one is C6H9NO.
What is the molecular weight of (3Z)-3-ethylidenepyrrolidin-2-one?
The molecular weight of (3Z)-3-ethylidenepyrrolidin-2-one is 111.07 g/mol.
Where can I buy (3Z)-3-ethylidenepyrrolidin-2-one?
You can request a quote for (3Z)-3-ethylidenepyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-ethylidenepyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-ethylidenepyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.