1-Phenylpyrrolidin-2-one
TL;DR: 1-Phenylpyrrolidin-2-one (CAS 4641-57-0) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpyrrolidin-2-one
Also Known As: 1-Phenylpyrrolidin-2-one, 1-Phenyl-2-pyrrolidinone, 1-Phenyl-2-pyrrolidone, Phenylpyrrolidone, 2-Pyrrolidinone, 1-phenyl-
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 4641-57-0 |
|---|---|
| SMILES | C1CC(=O)N(C1)C2=CC=CC=C2 |
| InChIKey | JMVIVASFFKKFQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylpyrrolidin-2-one (CAS 4641-57-0), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 1-phenylpyrrolidin-2-one.
Chemical Property Profile of 1-Phenylpyrrolidin-2-one
Property Insights of 1-Phenylpyrrolidin-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylpyrrolidin-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Phenylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylpyrrolidin-2-one 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-Phenylpyrrolidin-2-one?
The CAS number of 1-Phenylpyrrolidin-2-one is 4641-57-0.
What is the molecular formula of 1-Phenylpyrrolidin-2-one?
The molecular formula of 1-Phenylpyrrolidin-2-one is C10H11NO.
What is the molecular weight of 1-Phenylpyrrolidin-2-one?
The molecular weight of 1-Phenylpyrrolidin-2-one is 161.08 g/mol.
Where can I buy 1-Phenylpyrrolidin-2-one?
You can request a quote for 1-Phenylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.