2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile
TL;DR: 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile (CAS 15190-12-2) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile
Also Known As: 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile, 2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)acetonitrile, KST-1A1684, (4-methoxyphenyl)(pyrrolidin-1-yl)acetonitrile, 1-Pyrrolidineacetonitrile,a-(4-methoxyphenyl)-
Technical Specifications
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | COC1=CC=C(C=C1)C(C#N)N2CCCC2 |
| InChIKey | CSZHKEHWBYJMGQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile
Property Insights of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile is 15190-12-2.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile is C13H16N2O.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile is 216.12627 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.