| Canonical Smiles | CC1=CC2=C(C=C1OC)C(=O)C(=O)N2 |
|---|---|
| IUPAC Name | 5-methoxy-6-methyl-1H-indole-2,3-dione |
| InChIKey | SXCZRQXECZWRJN-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO3/c1-5-3-7-6(4-8(5)14-2)9(12)10(13)11-7/h3-4H,1-2H3,(H,11,12,13) |
| Molecular Weight | 191.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Aryl ketones Anisoles Alkyl aryl ethers Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Vinylogous amide - Secondary carboxylic acid amide - Lactam - Ketone - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 191.180 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.058 Da |
| Monoisotopic Mass | 191.058 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
