2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
TL;DR: 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone (CAS 57705-38-1) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
Also Known As: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone, (2E)-2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethan, 2-((E)-1-methyl-pyrrolidin-2-ylidene)-1-(4-nitro-phenyl)-ethanone, 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethan-1-one, Ethanone, 2-(1-methyl-2-pyrrolidinylidene)-1-(4-nitrophenyl)-, (E)-
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 57705-38-1 |
|---|---|
| SMILES | CN1CCCC1=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KCWXNRHHVYSFJG-UHFFFAOYSA-N |
Product Overview
2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone (CAS 57705-38-1), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
Property Insights of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 4 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-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is 57705-38-1.
What is the molecular formula of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is C13H14N2O3.
What is the molecular weight of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is 246.10 g/mol.
Where can I buy 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.