| Sonrisas canónicas | COC1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)C2=O |
|---|---|
| IUPAC Name | 5-methoxy-7-nitro-1H-indole-2,3-dione |
| InChIKey | KFNPBOSYECQAHA-UHFFFAOYSA-N |
| INCHI | 1S/C9H6N2O5/c1-16-4-2-5-7(6(3-4)11(14)15)10-9(13)8(5)12/h2-3H,1H3,(H,10,12,13) |
| Peso molecular | 222.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Methoxyanilines Anisoles Aryl ketones Nitroaromatic compounds Alkyl aryl ethers Vinylogous amides Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Methoxyaniline - Nitroaromatic compound - Anisole - Phenol ether - Aryl ketone - Alkyl aryl ether - Benzenoid - Vinylogous amide - Carboxamide group - Ketone - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Ether - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 222.150 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.028 Da |
| Monoisotopic Mass | 222.028 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |
