methyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate - ≥97% , CAS No.1421601-27-5

CAS: 1421601-27-5 Cat. No.: M629070 Molecular Weight: 193.2 PubChem CID: 71756086

GRADE & PURITY ≥97%

Synonyms

1421601-27-5 | methyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate | methyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate | MFCD22391968 | AKOS024015934 | AS-79377 | EN300-107241 | P19832 | Methyl7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate | methyl7-o

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1421601-27-5 | methyl 7-oxo-4, 5, 6, 7-tetrahydro-1H-indole-2-carboxylate | methyl 7-oxo-1, 4, 5, 6-tetrahydroindole-2-carboxylate | MFCD22391968 | AKOS024015934 | AS-79377 | EN300-107241 | P19832 | Methyl7-oxo-1, 4, 5, 6-tetrahydroindole-2-carboxylate | methyl7-o

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC2=C(N1)C(=O)CCC2
• IUPAC Name: methyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate
• InChIKey: JVSYLKYTGBAWRR-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO3/c1-14-10(13)7-5-6-3-2-4-8(12)9(6)11-7/h5,11H,2-4H2,1H3
• PubChem CID: 71756086
• Molecular Weight: 193.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Pyrrole carboxylic acids and derivatives Aryl alkyl ketones Substituted pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y