6,7-Dihydro-5H-isoquinolin-8-one

C₉H₉NOCAS 21917-88-4147.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
logP: 1.60Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 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

21917-88-4

SMILES

C1CC2=C(C=NC=C2)C(=O)C1

InChIKey

WFZAOWUFFCIBNP-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h4-6H,1-3H2

Weigh it out

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Work with 6,7-Dihydro-5H-isoquinolin-8-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

1-Tetralone529-34-058 % similar Benzosuberone826-73-351 % similar 7-Methyl-1-tetralone22009-37-650 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-750 % similar 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-550 % similar 7-Fluoro-1-tetralone2840-44-050 % similar 7-Bromo-1-tetralone32281-97-350 % similar 5,6,7,8-Tetrahydroquinolinone-553400-41-247 % 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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