1-Ethylpyrrolidin-3-one
TL;DR: 1-Ethylpyrrolidin-3-one (CAS 102153-86-6) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethylpyrrolidin-3-one
Also Known As: 1-ethylpyrrolidin-3-one, 1-ETHYL-PYRROLIDIN-3-ONE, 1-ethyl-3-pyrrolidinone, 0571AA, Z-6293
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.08406 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.08406 Da |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
| SMILES | CCN1CCC(=O)C1 |
| InChIKey | XXXQFHALDVELNQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethylpyrrolidin-3-one
Property Insights of 1-Ethylpyrrolidin-3-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylpyrrolidin-3-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Ethylpyrrolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylpyrrolidin-3-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
What is the CAS number of 1-Ethylpyrrolidin-3-one?
The CAS number of 1-Ethylpyrrolidin-3-one is 102153-86-6.
What is the molecular formula of 1-Ethylpyrrolidin-3-one?
The molecular formula of 1-Ethylpyrrolidin-3-one is C6H11NO.
What is the molecular weight of 1-Ethylpyrrolidin-3-one?
The molecular weight of 1-Ethylpyrrolidin-3-one is 113.08406 g/mol.
Where can I buy 1-Ethylpyrrolidin-3-one?
You can request a quote for 1-Ethylpyrrolidin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethylpyrrolidin-3-one?
Yes, CoreyChem provides custom synthesis services for 1-Ethylpyrrolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.