3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one
TL;DR: 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one (CAS 112601-98-6) 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.
3-(4-nitrophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Also Known As: 1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]pyrrolidine, (E)-3-(4-Nitrophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, 3-(4-nitrophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one, 3-(4-nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one, (E)-3-(4-nitrophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
| 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 | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 112601-98-6 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DXRDBEPLCGUYCF-UHFFFAOYSA-N |
Product Overview
3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one (CAS 112601-98-6), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-(4-nitrophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.
Chemical Property Profile of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one
Property Insights of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one 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 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one?
The CAS number of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one is 112601-98-6.
What is the molecular formula of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one?
The molecular formula of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one is C13H14N2O3.
What is the molecular weight of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one?
The molecular weight of 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one is 246.10 g/mol.
Where can I buy 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one?
You can request a quote for 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-1-pyrrolidin-1-yl-prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.