chempirical

Hexahydro-1H-isoindole-1,3(2H)-dione

C8H11NO2CAS 1444-94-6153.18 g/mol

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OHNO

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
100 °C
Boiling point
105 °C (at 0.15 Torr)
logP
1.29Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1444-94-6
SMILES
O=C1N=C(O)C2CCCCC12
InChIKey
WLDMPODMCFGWAA-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)

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

Names and synonyms

4 names
  • 1H-Isoindole-1,3(2H)-dione, hexahydro-
  • 1,2-Cyclohexanedicarboximide
  • Hexahydrophthalimide
  • NSC 18823

Work with Hexahydro-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

Rel-(3ar,7as)-hexahydro-1H-isoindole-1,3(2H)-dione7506-66-3100 % similar Tetrahydrocyclopenta[C]pyrrole-1,3(2H,3ah)-dione5763-44-092 % similar cis-1,2,3,6-Tetrahydrophthalimide1469-48-357 % similar 1,2,3,6-Tetrahydrophthalimide85-40-557 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-543 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-043 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-343 % similar 3A,4,7,7A-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione3647-74-340 % similar

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

Same formula

2,5-Dimethoxyaniline102-56-7 3,5-Dimethoxyaniline10272-07-8 Octopamine104-14-3 (αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,4-Dimethoxyaniline2735-04-8 Ethyl 5-methylpyrrole-2-carboxylate3284-51-3 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6 Dopamine51-61-6

Elsewhere

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