1-Benzyl-3-pyrrolidinone
TL;DR: 1-Benzyl-3-pyrrolidinone (CAS 775-16-6) 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-3-one
Also Known As: 1-Benzyl-3-pyrrolidinone, 1-benzylpyrrolidin-3-one, N-Benzyl-3-pyrrolidinone, 1-Benzyl-3-pyrrolidone, 1-(Phenylmethyl)-3-pyrrolidinone
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 775-16-6 |
|---|---|
| SMILES | C1CN(CC1=O)CC2=CC=CC=C2 |
| InChIKey | DHGMDHQNUNRMIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-3-pyrrolidinone (CAS 775-16-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 1-benzylpyrrolidin-3-one.
Chemical Property Profile of 1-Benzyl-3-pyrrolidinone
Property Insights of 1-Benzyl-3-pyrrolidinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-pyrrolidinone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzyl-3-pyrrolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-pyrrolidinone 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
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-pyrrolidinone?
The CAS number of 1-Benzyl-3-pyrrolidinone is 775-16-6.
What is the molecular formula of 1-Benzyl-3-pyrrolidinone?
The molecular formula of 1-Benzyl-3-pyrrolidinone is C11H13NO.
What is the molecular weight of 1-Benzyl-3-pyrrolidinone?
The molecular weight of 1-Benzyl-3-pyrrolidinone is 175.10 g/mol.
Where can I buy 1-Benzyl-3-pyrrolidinone?
You can request a quote for 1-Benzyl-3-pyrrolidinone 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-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.