TL;DR: 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- (CAS 116515-60-7) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxy-6,7-dihydro-5H-pyrrolizin-3-one
Also Known As: 8-hydroxy-6,7-dihydro-5H-pyrrolizin-3-one, 5,6,7,7a-tetrahydro-3h-pyrrolizin-7a-ol-3-one, 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy-, J1.135.345B, 4-hydroxy-9-phenyl-3H-benzo[f][2]benzofuran-1-one
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.06332 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.06332 Da |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
| SMILES | C1CC2(C=CC(=O)N2C1)O |
| InChIKey | UHWVDQANLORLJQ-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- is 116515-60-7.
The molecular formula of 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- is C7H9NO2.
The molecular weight of 3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-7a-hydroxy- is 139.06332 g/mol.
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