(S)-1-Benzyl-pyrrolidine-3-carbonitrile
TL;DR: (S)-1-Benzyl-pyrrolidine-3-carbonitrile (CAS 159065-14-2) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-1-benzylpyrrolidine-3-carbonitrile
Also Known As: (S)-1-Benzyl-pyrrolidine-3-carbonitrile, (3S)-1-benzylpyrrolidine-3-carbonitrile, (S)-1-benzyl-3-cyanopyrrolidine, (S)-1-BENZYLPYRROLIDINE-3-CARBONITRILE, 1-benzylpyrrolidine-3-carbonitrile
Technical Specifications
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.11569 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.11569 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| SMILES | C1CN(C[C@H]1C#N)CC2=CC=CC=C2 |
| InChIKey | RYCQUUNQHVAFSM-GFCCVEGCSA-N |
Chemical Property Profile of (S)-1-Benzyl-pyrrolidine-3-carbonitrile
Property Insights of (S)-1-Benzyl-pyrrolidine-3-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-Benzyl-pyrrolidine-3-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, (S)-1-Benzyl-pyrrolidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-Benzyl-pyrrolidine-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 (S)-1-Benzyl-pyrrolidine-3-carbonitrile?
The CAS number of (S)-1-Benzyl-pyrrolidine-3-carbonitrile is 159065-14-2.
What is the molecular formula of (S)-1-Benzyl-pyrrolidine-3-carbonitrile?
The molecular formula of (S)-1-Benzyl-pyrrolidine-3-carbonitrile is C12H14N2.
What is the molecular weight of (S)-1-Benzyl-pyrrolidine-3-carbonitrile?
The molecular weight of (S)-1-Benzyl-pyrrolidine-3-carbonitrile is 186.11569 g/mol.
Where can I buy (S)-1-Benzyl-pyrrolidine-3-carbonitrile?
You can request a quote for (S)-1-Benzyl-pyrrolidine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-1-Benzyl-pyrrolidine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for (S)-1-Benzyl-pyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.