1H-Indole-2-acetonitrile, 2,3-dihydro-

HCID 10419441

Notes Reactions

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Basic information

CAS: 146139-50-6
Standard SMILES: N#CCC1Cc2ccccc2N1
InChIKey: TZOGTECADNZKPF-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Names & identifiers

Preferred name: 1H-Indole-2-acetonitrile, 2,3-dihydro-
IUPAC: 2-(2,3-dihydro-1H-indol-2-yl)acetonitrile

Names & synonyms

1H-Indole-2-acetonitrile, 2,3-dihydro-146139-50-62-cyanomethylindolineSCHEMBL8906126SCHEMBL31681706DTXSID80439536TZOGTECADNZKPF-UHFFFAOYSA-N(2,3-Dihydro-1H-indol-2-yl)acetonitrile

Database identifiers

CAS: 146139-50-6
PubChem CID: 10419441
DTXSID: DTXSID80439536

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 203

Related reactions

2 records

New reaction record

HRID 52473As productuspto-grants-1997_04

HRID 811789As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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