TL;DR: 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione (CAS 1009756-20-0) is a chemical compound with molecular formula C13H13ClN2O2 and molecular weight 264.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
Also Known As: 1-(3-chlorophenyl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione, 3-(allylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione, 1-(3-chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione
| Molecular Formula | C13H13ClN2O2 |
| Molecular Weight | 264.06656 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.06656 Da |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
| SMILES | C=CCNC1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl |
| InChIKey | FVMYHMMRKUWNSY-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione has 1 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 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione is 1009756-20-0.
The molecular formula of 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione is C13H13ClN2O2.
The molecular weight of 1-(3-Chlorophenyl)-3-(prop-2-en-1-ylamino)pyrrolidine-2,5-dione is 264.06656 g/mol.
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