chempirical

Rel-(3ar,7as)-hexahydro-1H-isoindole-1,3(2H)-dione

C8H11NO2CAS 7506-66-3153.18 g/mol

Open in Covalent MOL file
OHNO

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
132 °C
logP
1.29Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
7506-66-3
SMILES
O=C1N=C(O)[C@H]2CCCC[C@@H]12
InChIKey
WLDMPODMCFGWAA-OLQVQODUNA-N
InChI
InChI=1/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6+

Weigh it out

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

Names and synonyms

7 names
  • 1H-Isoindole-1,3(2H)-dione, hexahydro-, (3aR,7aS)-rel-
  • 1,2-Cyclohexanedicarboximide, cis-
  • 1H-Isoindole-1,3(2H)-dione, hexahydro-, cis-
  • cis-1,2-Cyclohexanedicarboximide
  • cis-Hexahydro-1H-isoindole-1,3(2H)-dione
  • cis-Hexahydrophthalimide
  • cis-Perhydrophthalimide

Work with Rel-(3ar,7as)-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

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 trans-1,2-Cyclopentanedicarboxylic acid1461-97-838 % 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 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (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

Elsewhere

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