chempirical

1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one

C7H6N2OCAS 5654-97-7134.14 g/mol

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Properties

Molecular formula
C7H6N2O
Molar mass
134.14 g/mol
Exact mass
134.0480 Da
Melting point
175 °C
logP
1.23Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
5654-97-7
SMILES
OC1=Nc2ncccc2C1
InChIKey
ZXSQEZNORDWBGZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)

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

Names and synonyms

6 names
  • 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-
  • 7-Azaoxindole
  • 7-Aza-2-oxindole
  • 1,3-Dihydropyrrolo[2,3-b]pyridin-2-one
  • 1H-Pyrrolo[2,3-b]pyridin-2(3H)-one
  • 1H,2H,3H-Pyrrolo[2,3-b]pyridin-2-one

Work with 1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one

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

2H-Pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-09-854 % similar Oxindole59-48-348 % similar 7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-642 % similar 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one346599-63-139 % similar 2,2-Dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-21-439 % similar 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one56341-40-338 % similar 5-Methyloxindole3484-35-337 % similar 6-Chlorooxindole56341-37-837 % similar

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

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-B]pyridin-2-one32501-05-6 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4 2-Benzoxazolamine4570-41-6 2-Benzimidazolinone615-16-7 2-Methoxy-3-pyridinecarbonitrile7254-34-4

Elsewhere

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