2-(Nitromethylidene)-1-prop-2-enylpyrrolidine
TL;DR: 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine (CAS 40990-27-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(nitromethylidene)-1-prop-2-enylpyrrolidine
Also Known As: 1-(Allyl)-2-(nitromethylene)pyrrolidine, 2-(nitromethylidene)-1-prop-2-enylpyrrolidine
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.3863 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 223.09775 |
Chemical Identifiers
| CAS Number | 40990-27-0 |
|---|---|
| SMILES | C=CCN1CCCC1=C[N+](=O)[O-] |
Product Overview
2-(Nitromethylidene)-1-prop-2-enylpyrrolidine (CAS 40990-27-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 2-(nitromethylidene)-1-prop-2-enylpyrrolidine.
Chemical Property Profile of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine
Property Insights of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine
The XLogP value of 1.3863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine. With a topological polar surface area (TPSA) of 46.38 Ų, 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine 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-(Nitromethylidene)-1-prop-2-enylpyrrolidine?
The CAS number of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine is 40990-27-0.
What is the molecular formula of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine?
The molecular formula of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine is C8H12N2O2.
What is the molecular weight of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine?
The molecular weight of 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine is 168.09 g/mol.
Where can I buy 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine?
You can request a quote for 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitromethylidene)-1-prop-2-enylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.