chempirical

5-Amino-2,3-dihydro-1H-inden-1-one

C9H9NOCAS 3470-54-0147.18 g/mol

Open in Covalent MOL file
ONH2
KetonePrimary amine

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
1.40Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3470-54-0
SMILES
C1CC(=O)C2=C1C=C(C=C2)N
InChIKey
HODOSJNSRPXYBH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4,10H2

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

Names and synonyms

1 names
  • 5-Aminoindan-1-one

Work with 5-Amino-2,3-dihydro-1H-inden-1-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

6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-981 % similar 5-Bromo-1-indanone34598-49-759 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Iodo-1-indanone511533-38-359 % similar 5-Fluoro-1-indanone700-84-559 % similar 5-Methoxy-1-indanone5111-70-654 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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