1-Benzyl-3-methylpyrrolidine-3-carbonitrile
TL;DR: 1-Benzyl-3-methylpyrrolidine-3-carbonitrile (CAS 114373-05-6) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-methylpyrrolidine-3-carbonitrile
Also Known As: 1-benzyl-3-methylpyrrolidine-3-carbonitrile, 1-benzyl-3-methyl-pyrrolidine-3-carbonitrile, 2379AA, 1-Benzyl-3-methyl-3-pyrrolidinecarbonitrile, 4CH-024345
Technical Specifications
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.13135 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 Da |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
| SMILES | CC1(CCN(C1)CC2=CC=CC=C2)C#N |
| InChIKey | XJOKIRNPOIKWNQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile
Property Insights of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-methylpyrrolidine-3-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Benzyl-3-methylpyrrolidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-methylpyrrolidine-3-carbonitrile 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-Benzyl-3-methylpyrrolidine-3-carbonitrile?
The CAS number of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile is 114373-05-6.
What is the molecular formula of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile?
The molecular formula of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile is C13H16N2.
What is the molecular weight of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile?
The molecular weight of 1-Benzyl-3-methylpyrrolidine-3-carbonitrile is 200.13135 g/mol.
Where can I buy 1-Benzyl-3-methylpyrrolidine-3-carbonitrile?
You can request a quote for 1-Benzyl-3-methylpyrrolidine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-methylpyrrolidine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-methylpyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.