≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CNC4=CC=CC=C43)C(=O)C1)C |
|---|---|
| IUPAC Name | 2-amino-4-(1H-indol-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile |
| InChIKey | OQTNBNUQCHYJGH-UHFFFAOYSA-N |
| INCHI | 1S/C20H19N3O2/c1-20(2)7-15(24)18-16(8-20)25-19(22)12(9-21)17(18)13-10-23-14-6-4-3-5-11(13)14/h3-6,10,17,23H,7-8,22H2,1-2H3 |
| Isomeric SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CNC4=CC=CC=C43)C(=O)C1)C |
| PubChem CID | 2737732 |
| Molecular Weight | 333.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Cyclohexenones Substituted pyrroles Pyrans Benzenoids Vinylogous esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Cyclohexenone - Pyran - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Ketone - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 333.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 333.148 Da |
| Monoisotopic Mass | 333.148 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 724.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
