3,4-Dihydroisoquinolin-1(2H)-one

C₉H₉NOCAS 1196-38-9147.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
Melting point: 166 °C
Boiling point: 138–143 °C (at 0.3 Torr)
logP: 1.55Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1196-38-9

SMILES

OC1=NCCc2ccccc21

InChIKey

YWPMKTWUFVOFPL-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)

Weigh it out

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

Names and synonyms

9 names

1(2H)-Isoquinolinone, 3,4-dihydro-
3,4-Dihydro-1(2H)-isoquinolinone
3,4-Dihydro-1-isoquinolinone
3,4-Dihydroisocarbostyril
3,4-Dihydroisoquinol-1(2H)-one
3,4-Dihydro-2H-isoquinolin-1-one
3,4-Dihydroisoquinolinone
1,2,3,4-Tetrahydroisoquinolin-1-one
Isocarbostyril, 3,4-dihydro-

Work with 3,4-Dihydroisoquinolin-1(2H)-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

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 2-Methyl-1H-indol-5-ol13314-85-7 1-Furfurylpyrrole1438-94-4

Elsewhere

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