2-Oxo-2,3-dihydro-1H-indole-7-carbonitrile - ≥98% , CAS No.380427-40-7

CAS: 380427-40-7 Cat. No.: C184141 Formule: C₉H₆N₂O Poids moléculaire: 158.16 Numéro CE: 846-388-2

GRADE & PURITY ≥98%

Synonyms

7-cyanooxindole, AldrichCPR | FT-0644539 | AC-27818 | 2-oxoindoline-7-carbonitrile | SCHEMBL2075401 | AM807145 | Q-102621 | 7-Cyanooxindole | 2-oxo-1,3-dihydroindole-7-carbonitrile | DTXSID60378398 | 2-OXO-2,3-DIHYDRO-1H-INDOLE-7-CARBONITRILE | AKOS006228

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

7-cyanooxindole, AldrichCPR | FT-0644539 | AC-27818 | 2-oxoindoline-7-carbonitrile | SCHEMBL2075401 | AM807145 | Q-102621 | 7-Cyanooxindole | 2-oxo-1,3-dihydroindole-7-carbonitrile | DTXSID60378398 | 2-OXO-2,3-DIHYDRO-1H-INDOLE-7-CARBONITRILE | AKOS006228

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1C2=C(C(=CC=C2)C#N)NC1=O

IUPAC Name

2-oxo-1,3-dihydroindole-7-carbonitrile

InChIKey

SYZZMPZKZBRDNH-UHFFFAOYSA-N

INCHI

1S/C9H6N2O/c10-5-7-3-1-2-6-4-8(12)11-9(6)7/h1-3H,4H2,(H,11,12)

Isomères SMILES

C1C2=C(C(=CC=C2)C#N)NC1=O

Poids moléculaire

158.16

Reaxy-Rn

27619642

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27619642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Azacycle - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

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

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 158.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.048 Da
• Monoisotopic Mass: 158.048 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 252.000
• 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