TL;DR: 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione (CAS 1164503-49-4) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,4-dione
Also Known As: 3-(4-hydroxybenzylidene)-2,4-pyrrolidinedione, SDCCGMLS-0064541.P001, (3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,4-dione, AH-262/33341054
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.05824 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 Da |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
| SMILES | C1C(=O)/C(=C\C2=CC=C(C=C2)O)/C(=O)N1 |
| InChIKey | PMYPUHRSXLKVBB-WEVVVXLNSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione. Following Lipinski's Rule of Five, 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione is 1164503-49-4.
The molecular formula of 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione is C11H9NO3.
The molecular weight of 3-(4-Hydroxybenzylidene)-2,4-pyrrolidinedione is 203.05824 g/mol.
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