(E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
TL;DR: (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone (CAS 66075-42-1) 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.
(2E)-2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
Also Known As: 1-Methyl-2-[(4-nitrobenzoyl)methylene]pyrrolidine, (2E)-2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone, (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone, 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethan-1-one, (2E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethan-1-one
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.387 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 505.47256 |
Chemical Identifiers
| CAS Number | 66075-42-1 |
|---|---|
| SMILES | CN\1CCC/C1=C\C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone (CAS 66075-42-1), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: (2E)-2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
Property Insights of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
The XLogP value of 2.387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (E)-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 (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The CAS number of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is 66075-42-1.
What is the molecular formula of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The molecular formula of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is C13H14N2O3.
What is the molecular weight of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
The molecular weight of (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone is 246.10 g/mol.
Where can I buy (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
You can request a quote for (E)-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 (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.