1H-indole-3-acetonitrile, 2-ethenyl-
TL;DR: 1H-indole-3-acetonitrile, 2-ethenyl- (CAS 141621-80-9) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-ethenyl-1H-indol-3-yl)acetonitrile
Also Known As: 1H-indole-3-acetonitrile, 2-ethenyl-, (2-vinylindol-3-yl)acetonitrile, 3-cyanomethyl-2-vinylindole, (2-vinyl-1H-indol-3-yl)acetonitrile, 2-(2-ethenyl-1H-indol-3-yl)acetonitrile
Technical Specifications
| Molecular Formula | C12H10N2 |
| Molecular Weight | 182.0844 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0844 Da |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
| SMILES | C=CC1=C(C2=CC=CC=C2N1)CC#N |
| InChIKey | XVFXRPMBSBRKGC-UHFFFAOYSA-N |
Chemical Property Profile of 1H-indole-3-acetonitrile, 2-ethenyl-
Property Insights of 1H-indole-3-acetonitrile, 2-ethenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indole-3-acetonitrile, 2-ethenyl-. With a topological polar surface area (TPSA) of 39.6 Ų, 1H-indole-3-acetonitrile, 2-ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indole-3-acetonitrile, 2-ethenyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-indole-3-acetonitrile, 2-ethenyl-?
The CAS number of 1H-indole-3-acetonitrile, 2-ethenyl- is 141621-80-9.
What is the molecular formula of 1H-indole-3-acetonitrile, 2-ethenyl-?
The molecular formula of 1H-indole-3-acetonitrile, 2-ethenyl- is C12H10N2.
What is the molecular weight of 1H-indole-3-acetonitrile, 2-ethenyl-?
The molecular weight of 1H-indole-3-acetonitrile, 2-ethenyl- is 182.0844 g/mol.
Where can I buy 1H-indole-3-acetonitrile, 2-ethenyl-?
You can request a quote for 1H-indole-3-acetonitrile, 2-ethenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-indole-3-acetonitrile, 2-ethenyl-?
Yes, CoreyChem provides custom synthesis services for 1H-indole-3-acetonitrile, 2-ethenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.