chempirical

7-Indolinecarbonitrile

C9H8N2CAS 115661-82-0144.18 g/mol

Open in Covalent MOL file
HNN
NitrileSecondary amine

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
logP
1.53Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
115661-82-0
SMILES
C1CNC2=C1C=CC=C2C#N
InChIKey
YABRSQUYXZGQBW-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2

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Names and synonyms

1 names
  • 2,3-Dihydro-1H-indole-7-carbonitrile

Work with 7-Indolinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Cyanobenzyl bromide22115-41-944 % similar 2-Cyanobenzeneacetonitrile3759-28-244 % similar 2-Cyanobenzyl chloride612-13-544 % similar Indoline496-15-144 % similar Phthalonitrile91-15-643 % similar 2-Chlorobenzonitrile873-32-539 % similar 1-(2-Cyanophenyl)piperazine111373-03-638 % similar 2-Cyanobenzeneacetic acid18698-99-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Aminoisoquinoline1125-60-6 1-Phenylpyrazole1126-00-7 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 2-Methyl-[1,8]naphthyridine1569-16-0 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6

Elsewhere

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