| Canonical Smiles | C1=CC2=C(C=C1C=O)C=C(N2)C(=O)N |
|---|---|
| IUPAC Name | 5-formyl-1H-indole-2-carboxamide |
| InChIKey | UMNAHFVVEYZBSQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H8N2O2/c11-10(14)9-4-7-3-6(5-13)1-2-8(7)12-9/h1-5,12H,(H2,11,14) |
| Molecular Weight | 188.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Aryl-aldehydes Substituted pyrroles Benzenoids Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
| Molecular Weight | 188.180 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 188.059 Da |
| Monoisotopic Mass | 188.059 Da |
| Topological Polar Surface Area | 76.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |
