3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile
TL;DR: 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile (CAS 106421-82-3) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-3-oxo-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
Also Known As: (2Z)-3-oxo-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile, 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile
Technical Specifications
| Molecular Formula | C14H14N2O |
| Molecular Weight | 226.11061 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.11061 Da |
| Heavy Atoms | 17 |
| Complexity | 413.0 |
| SMILES | CC\1(C2=CC=CC=C2N(/C1=C(\C=O)/C#N)C)C |
| InChIKey | FSNRHUFUPQFMBI-RAXLEYEMSA-N |
Chemical Property Profile of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile
Property Insights of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile 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 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile?
The CAS number of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile is 106421-82-3.
What is the molecular formula of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile?
The molecular formula of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile is C14H14N2O.
What is the molecular weight of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile?
The molecular weight of 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile is 226.11061 g/mol.
Where can I buy 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile?
You can request a quote for 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-oxo-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.