| Canonical Smiles | CC1=CC2=C(CC(=O)N2)C=C1Br |
|---|---|
| IUPAC Name | 5-bromo-6-methyl-1,3-dihydroindol-2-one |
| InChIKey | UUYGDAWPONZNJF-UHFFFAOYSA-N |
| INCHI | 1S/C9H8BrNO/c1-5-2-8-6(3-7(5)10)4-9(12)11-8/h2-3H,4H2,1H3,(H,11,12) |
| Isomeric SMILES | CC1=CC2=C(CC(=O)N2)C=C1Br |
| PubChem CID | 10307991 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Benzenoids Aryl bromides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aryl bromide - Aryl halide - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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 | 226.070 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 224.979 Da |
| Monoisotopic Mass | 224.979 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
