![3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile structure](/static/products/1631/16317-18-3.webp)
3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile
TL;DR: 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile (CAS 16317-18-3) is a chemical compound with molecular formula C13H20N2 and molecular weight 204.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ylbicyclo[2.2.2]octane-2-carbonitrile
Also Known As: 3-pyrrolidin-1-ylbicyclo[2.2.2]octane-2-carbonitrile, 3-(pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile, (S,S)-[2-(4-Isopropyloxazolin-2yl)ferrocenyl]diphenylphosphine, Bicyclo[2.2.2]octane-2-carbonitrile,3-(1-pyrrolidinyl)-, trans- (8CI), Bicyclo[2.2.2]octane-2-carbonitrile,3-(1-pyrrolidinyl)-, trans-(8ci)
| Molecular Formula | C13H20N2 |
|---|---|
| Molecular Weight | 204.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.16264 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 16317-18-3 |
|---|---|
| SMILES | C1CCN(C1)C2C3CCC(C2C#N)CC3 |
| InChIKey | XPSZDEUMYCMSAL-UHFFFAOYSA-N |
Product Overview
3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile (CAS 16317-18-3), with molecular formula C13H20N2 and molecular weight 204.16 g/mol. IUPAC: 3-pyrrolidin-1-ylbicyclo[2.2.2]octane-2-carbonitrile.
Chemical Property Profile of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile
Property Insights of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-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
Frequently Asked Questions
What is the CAS number of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile?
The CAS number of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile is 16317-18-3.
What is the molecular formula of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile?
The molecular formula of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile is C13H20N2.
What is the molecular weight of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile?
The molecular weight of 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile is 204.16 g/mol.
Where can I buy 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile?
You can request a quote for 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-yl)bicyclo[2.2.2]octane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.