1,2,2-Trimethyl-5-phenylpyrrolidin-3-one
TL;DR: 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one (CAS 13918-00-8) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
Also Known As: 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one, 3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl-
Technical Specifications
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.13101 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.13101 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | CC1(C(=O)CC(N1C)C2=CC=CC=C2)C |
| InChIKey | UCUDTEQUMMNXBM-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one
Property Insights of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one has 0 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 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one?
The CAS number of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one is 13918-00-8.
What is the molecular formula of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one?
The molecular formula of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one is C13H17NO.
What is the molecular weight of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one?
The molecular weight of 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one is 203.13101 g/mol.
Where can I buy 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one?
You can request a quote for 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one?
Yes, CoreyChem provides custom synthesis services for 1,2,2-Trimethyl-5-phenylpyrrolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.