chempirical

2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile

C10H7NOCAS 60899-34-5157.17 g/mol

Open in Covalent MOL file
NO
KetoneNitrile

Properties

Molecular formula
C10H7NO
Molar mass
157.17 g/mol
Exact mass
157.0528 Da
Melting point
116–117 °C
logP
1.69Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
60899-34-5
SMILES
N#Cc1cccc2c1CCC2=O
InChIKey
SCTBWJINDJVNDM-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3H,4-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Indene-4-carbonitrile, 2,3-dihydro-1-oxo-
  • 4-Cyanoindanone
  • 4-Cyano-1-indanone
  • 1-Oxo-indan-4-carbonitrile
  • 1-Oxoindane-4-carbonitrile
  • 1-Oxo-2,3-dihydroindene-4-carbonitrile

Work with 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile

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

4-Chloroindan-1-one15115-59-056 % similar 4-Bromo-1-indanone15115-60-356 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-750 % similar 1-Indanone83-33-049 % similar 4-Nitro-1-indanone24623-25-448 % similar 5-Hydroxy-1-tetralone28315-93-744 % similar 1-Tetralone529-34-042 % similar 2′-Hydroxydihydrochalcone3516-95-841 % similar

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

Same formula

3-Quinolinecarboxaldehyde13669-42-6 4-Quinolinecarboxaldehyde4363-93-3 2-Quinolinecarboxaldehyde5470-96-2

Elsewhere

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