2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-
TL;DR: 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- (CAS 89422-23-1) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)prop-2-enenitrile
Also Known As: 2,4-Dimethyl-nicotinic acid methyl ester, 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-, 3-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)prop-2-enenitrile
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 89422-23-1 |
|---|---|
| SMILES | CC1(CC(=O)C(N1C=CC#N)(C)C)C |
| InChIKey | SPGZCJKCXFAUOH-UHFFFAOYSA-N |
Product Overview
2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- (CAS 89422-23-1), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 3-(2,2,5,5-tetramethyl-3-oxopyrrolidin-1-yl)prop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-
Property Insights of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-. With a topological polar surface area (TPSA) of 44.1 Ų, 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- 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
Frequently Asked Questions
What is the CAS number of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-?
The CAS number of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- is 89422-23-1.
What is the molecular formula of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-?
The molecular formula of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- is C11H16N2O.
What is the molecular weight of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-?
The molecular weight of 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- is 192.13 g/mol.
Where can I buy 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-?
You can request a quote for 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 3-(2,2,5,5-tetramethyl-3-oxo-1-pyrrolidinyl)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.