2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine
TL;DR: 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine (CAS 57734-58-4) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(nitromethylidene)pyrrolidine
Also Known As: N-Benzyl-2-nitromethylenpyrrolidin, 1-benzyl-2-(nitromethylidene)pyrrolidine, 1-(Benzyl)-2-(nitromethylene)pyrrolidine, 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine, Pyrrolidine,2-(nitromethylene)-1-(phenylmethyl)-
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 57734-58-4 |
|---|---|
| SMILES | C1CC(=C[N+](=O)[O-])N(C1)CC2=CC=CC=C2 |
| InChIKey | QGRRJDFZPVWRGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine (CAS 57734-58-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 1-benzyl-2-(nitromethylidene)pyrrolidine.
Chemical Property Profile of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine
Property Insights of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine. With a topological polar surface area (TPSA) of 49.1 Ų, 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Nitromethylene)-1-(phenylmethyl)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
Frequently Asked Questions
What is the CAS number of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine?
The CAS number of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine is 57734-58-4.
What is the molecular formula of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine?
The molecular formula of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine is C12H14N2O2.
What is the molecular weight of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine?
The molecular weight of 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine is 218.11 g/mol.
Where can I buy 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine?
You can request a quote for 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitromethylene)-1-(phenylmethyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.