2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile
TL;DR: 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile (CAS 35167-49-8) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-5-oxopyrrolidine-2-carbonitrile
Also Known As: 2,3,3-trimethyl-2-cyano-5-pyrrolidone, 2,3,3-trimethyl-5-oxopyrrolidine-2-carbonitrile, 2,3,3-Trimethyl-5-oxo-2-pyrrolidinecarbonitrile #, 2-Pyrrolidinecarbonitrile, 2,3,3-trimethyl-5-oxo-
| Molecular Formula | C8H12N2O |
|---|---|
| Molecular Weight | 152.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.09496 |
| Heavy Atoms | 11 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 35167-49-8 |
|---|---|
| SMILES | CC1(CC(=O)NC1(C)C#N)C |
| InChIKey | XSNDYKMDVGHMMH-UHFFFAOYSA-N |
Product Overview
2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile (CAS 35167-49-8), with molecular formula C8H12N2O and molecular weight 152.09 g/mol. IUPAC: 2,3,3-trimethyl-5-oxopyrrolidine-2-carbonitrile.
Chemical Property Profile of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile
Property Insights of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile has 1 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 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile?
The CAS number of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile is 35167-49-8.
What is the molecular formula of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile?
The molecular formula of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile is C8H12N2O.
What is the molecular weight of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile?
The molecular weight of 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile is 152.09 g/mol.
Where can I buy 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile?
You can request a quote for 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trimethyl-5-oxopyrrolidine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.