chempirical

4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione

C8H9NO2CAS 4720-86-9151.16 g/mol

Open in Covalent MOL file
OHNO
Alkene

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
170–175 °C (sublimes)
logP
1.35Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
4720-86-9
SMILES
O=C1N=C(O)C2=C1CCCC2
InChIKey
AFJWMGOTLUUGHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)

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

Names and synonyms

5 names
  • 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-
  • 1-Cyclohexene-1,2-dicarboximide
  • 3,4,5,6-Tetrahydrophthalimide
  • Tetrahydrophthalimide
  • NSC 293561

Work with 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione

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

3,4,5,6-Tetrahydrophthalic anhydride2426-02-041 % similar Pimelic acid111-16-032 % similar Sebacic acid111-20-632 % similar Pentadecanedioic acid1460-18-032 % similar Heptadecanedioic acid2424-90-032 % similar Eicosanedioic acid2424-92-232 % similar Suberic acid505-48-632 % similar Brassylic acid505-52-232 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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