TL;DR: [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate (CAS 152100-45-3) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
Also Known As: [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate|J2.543.284C|((S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDIN&|1-(4-nitrophenyl)pyrrolidin-2-ylmethyl prop-2-enoate|[1-(4-nitrophenyl)pyrrolidin-2-yl]methylProp-2-enoate|((S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDIN&;npp acrylate|[(2S)-1-(4-Nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate|Acrylic acid [1-(4-nitrophenyl)pyrrolidine-2-yl]methyl ester|EN300-297770
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.111 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.111 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | C=CC(=O)OCC1CCCN1C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HCVPUFHAWIINEQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate. Following Lipinski's Rule of Five, [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate is 152100-45-3.
The molecular formula of [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate is C14H16N2O4.
The molecular weight of [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl Prop-2-enoate is 276.111 g/mol.
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