1-Benzyl-3-pyrrolidone
TL;DR: 1-Benzyl-3-pyrrolidone (CAS 5291-77-0) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyrrolidin-2-one
Also Known As: 1-benzylpyrrolidin-2-one, 1-Benzyl-2-pyrrolidinone, 1-Benzyl-2-pyrrolidone, 1-Benzyl-3-pyrrolidone, N-Benzylpyrrolidone
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
| Solubility | >26.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5291-77-0 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=CC=CC=C2 |
| InChIKey | LVUQCTGSDJLWCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-3-pyrrolidone (CAS 5291-77-0), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 1-benzylpyrrolidin-2-one.
Chemical Property Profile of 1-Benzyl-3-pyrrolidone
Property Insights of 1-Benzyl-3-pyrrolidone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-pyrrolidone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzyl-3-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-pyrrolidone 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-Benzyl-3-pyrrolidone?
The CAS number of 1-Benzyl-3-pyrrolidone is 5291-77-0.
What is the molecular formula of 1-Benzyl-3-pyrrolidone?
The molecular formula of 1-Benzyl-3-pyrrolidone is C11H13NO.
What is the molecular weight of 1-Benzyl-3-pyrrolidone?
The molecular weight of 1-Benzyl-3-pyrrolidone is 175.10 g/mol.
Where can I buy 1-Benzyl-3-pyrrolidone?
You can request a quote for 1-Benzyl-3-pyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.