chempirical

Isoindolinone

C8H7NOCAS 480-91-1133.15 g/mol

Open in Covalent MOL file
OHN
Alcohol

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
Melting point
151 °C
Boiling point
338 °C
logP
1.50Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
480-91-1
SMILES
OC1=NCc2ccccc21
InChIKey
PXZQEOJJUGGUIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)

Weigh it out

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

Names and synonyms

10 names
  • 1H-Isoindol-1-one, 2,3-dihydro-
  • Phthalimidine
  • 2,3-Dihydro-1H-isoindol-1-one
  • 1-Isoindolinone
  • 1-Oxoisoindoline
  • 3,4-Benzopyrrolidone
  • 1-Oxodihydroisoindole
  • NSC 3689
  • 2,3-Dihydroisoindol-1-one
  • 1,3-Dihydroisoindol-1-one

Work with Isoindolinone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 Benzyl isocyanate3173-56-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook