5,6,7,8-Tetrahydroquinolinone-5

C9H9NOCAS 53400-41-2147.18 g/mol

Open in Covalent MOL file
NO
Ketone

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
1.60Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53400-41-2
SMILES
C1CC2=C(C=CC=N2)C(=O)C1
InChIKey
YHHBKPWMEXGLKE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2

Weigh it out

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

Names and synonyms

1 names
  • 5(6H)-Quinolinone, 7,8-dihydro-

Work with 5,6,7,8-Tetrahydroquinolinone-5

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

6,7-Dihydro-5H-1-pyridin-5-one28566-14-586 % similar 5H,6H,7H,8H,9H-Cyclohepta[b]pyridine-5,9-dione39713-40-162 % similar 6,7-Dihydro-5H-quinoline-8-one56826-69-856 % similar 1-Tetralone529-34-053 % similar 6,7-Dihydro-5H-isoquinolin-8-one21917-88-447 % similar 5-Bromo-1-tetralone68449-30-947 % similar Benzosuberone826-73-347 % similar 5-Hydroxy-1-tetralone28315-93-746 % 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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