TL;DR: 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one (CAS 102271-78-3) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(dimethylamino)phenyl]methylidene]oxolan-2-one
Also Known As: 3-[(4-dimethylaminophenyl)methylidene]oxolan-2-one, 3-[[4-(dimethylamino)phenyl]methylidene]oxolan-2-one, 3-(4-(Dimethylamino)benzylidene)dihydro-2(3H)-furanone, 3-[4-(dimethylamino)benzylidene]dihydrofuran-2(3h)-one, 2(3H)-Furanone, 3-[[4-(dimethylamino)phenyl]methylene]dihydro-, (3E)-
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.11028 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C=C2CCOC2=O |
| InChIKey | GQHNDMLBKQUGIZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one has 0 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-(Dimethylamino)phenyl]methylidene]oxolan-2-one is 102271-78-3.
The molecular formula of 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one is C13H15NO2.
The molecular weight of 3-[[4-(Dimethylamino)phenyl]methylidene]oxolan-2-one is 217.11028 g/mol.
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