chempirical

2-Hydroxy-7,8-dihydro-5(6H)-quinolinone

C9H9NO2CAS 15450-69-8163.18 g/mol

Open in Covalent MOL file
ONHO
Ketone

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
0.89Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
15450-69-8
SMILES
C1CC2=C(C=CC(=O)N2)C(=O)C1
InChIKey
AUMQUQJTKCJMPA-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)

Weigh it out

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

Names and synonyms

1 names
  • 1,2,5,6,7,8-Hexahydroquinoline-2,5-dione

Work with 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone

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

1,5,6,7-Tetrahydro-4H-indol-4-one13754-86-457 % similar 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-643 % similar 6-Chloro-1-tetralone26673-31-441 % similar 3,4-Dihydro-6-hydroxy-1(2H)-naphthalenone3470-50-641 % similar 6,7-Dihydrobenzo[B]thiophen-4(5H)-one13414-95-441 % similar 6-Methoxy-1-tetralone1078-19-939 % similar Benzosuberone826-73-338 % similar 7-Methyl-1-tetralone22009-37-638 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook