Isoindolinone
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
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
480-91-1SMILES
OC1=NCc2ccccc21InChIKey
PXZQEOJJUGGUIB-UHFFFAOYSA-NInChI
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
Similar compounds
3,4-Dihydroisoquinolin-1(2H)-one1196-38-966 % similar
4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-455 % similar
N-Benzylbenzamide1485-70-747 % similar
2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-346 % similar
2,3-Dihydro-1H-inden-1-one oxime3349-60-842 % similar
Salicyluric acid487-54-742 % similar
N-(2-Iodobenzoyl)glycine147-58-041 % similar
Methylhippuric acid42013-20-741 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.