4-Benzyloxy-3-pyrrolin-2-one
TL;DR: 4-Benzyloxy-3-pyrrolin-2-one (CAS 113896-95-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylmethoxy-1,2-dihydropyrrol-5-one
Also Known As: 4-BENZYLOXY-3-PYRROLIN-2-ONE, 4-(Benzyloxy)-1H-pyrrol-2(5H)-one, 3-phenylmethoxy-1,2-dihydropyrrol-5-one, 4-benzyloxy-3-pyrrolidin-2-one, 4-(Benzyloxy)-3-pyrroline-2-one
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
| SMILES | C1C(=CC(=O)N1)OCC2=CC=CC=C2 |
| InChIKey | FIPLVTFTJOOADU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzyloxy-3-pyrrolin-2-one
Property Insights of 4-Benzyloxy-3-pyrrolin-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyloxy-3-pyrrolin-2-one. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Benzyloxy-3-pyrrolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxy-3-pyrrolin-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Benzyloxy-3-pyrrolin-2-one?
The CAS number of 4-Benzyloxy-3-pyrrolin-2-one is 113896-95-0.
What is the molecular formula of 4-Benzyloxy-3-pyrrolin-2-one?
The molecular formula of 4-Benzyloxy-3-pyrrolin-2-one is C11H11NO2.
What is the molecular weight of 4-Benzyloxy-3-pyrrolin-2-one?
The molecular weight of 4-Benzyloxy-3-pyrrolin-2-one is 189.07898 g/mol.
Where can I buy 4-Benzyloxy-3-pyrrolin-2-one?
You can request a quote for 4-Benzyloxy-3-pyrrolin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzyloxy-3-pyrrolin-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Benzyloxy-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.