1-(3-Nitrobenzoyl)pyrrolidine
TL;DR: 1-(3-Nitrobenzoyl)pyrrolidine (CAS 160647-67-6) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(3-nitrobenzoyl)pyrrolidine, (3-nitrophenyl)(pyrrolidin-1-yl)methanone, (3-nitrophenyl)-pyrrolidin-1-ylmethanone, 3-nitrophenyl pyrrolidinyl ketone, 1-[(3-nitrophenyl)carbonyl]pyrrolidine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.0848 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0848 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | C1CCN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | KAORXJOPNPLLFN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Nitrobenzoyl)pyrrolidine
Property Insights of 1-(3-Nitrobenzoyl)pyrrolidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrobenzoyl)pyrrolidine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzoyl)pyrrolidine. Following Lipinski's Rule of Five, 1-(3-Nitrobenzoyl)pyrrolidine has 0 hydrogen bond donor(s) and 3 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-(3-Nitrobenzoyl)pyrrolidine?
The CAS number of 1-(3-Nitrobenzoyl)pyrrolidine is 160647-67-6.
What is the molecular formula of 1-(3-Nitrobenzoyl)pyrrolidine?
The molecular formula of 1-(3-Nitrobenzoyl)pyrrolidine is C11H12N2O3.
What is the molecular weight of 1-(3-Nitrobenzoyl)pyrrolidine?
The molecular weight of 1-(3-Nitrobenzoyl)pyrrolidine is 220.0848 g/mol.
Where can I buy 1-(3-Nitrobenzoyl)pyrrolidine?
You can request a quote for 1-(3-Nitrobenzoyl)pyrrolidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Nitrobenzoyl)pyrrolidine?
Yes, CoreyChem provides custom synthesis services for 1-(3-Nitrobenzoyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.