chempirical

3A,4,7,7A-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

C9H9NO2CAS 3647-74-3163.18 g/mol

Open in Covalent MOL file
OHNO
Alkene

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
187 °C
logP
0.92Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3647-74-3
SMILES
O=C1N=C(O)C2C3C=CC(C3)C12
InChIKey
GPIUUMROPXDNRH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)

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

Names and synonyms

8 names
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
  • 5-Norbornene-2,3-dicarboximide
  • 3,6-Endomethylenetetrahydrophthalimide
  • 3,6-Endomethylenephthalimide, 1,2,3,6-tetrahydro-
  • 3,6-Endomethylene-4-cyclohexene-1,2-dicarboximide
  • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboximide
  • cis-3,6-Endomethylene-δ4-tetrahydrophthalimide
  • NSC 147237

Work with 3A,4,7,7A-Tetrahydro-4,7-methano-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

5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-048 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-348 % similar cis-1,2,3,6-Tetrahydrophthalimide1469-48-343 % similar 1,2,3,6-Tetrahydrophthalimide85-40-543 % similar Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-640 % similar 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-240 % similar Tetrahydrocyclopenta[C]pyrrole-1,3(2H,3ah)-dione5763-44-040 % similar Rel-(3ar,7as)-hexahydro-1H-isoindole-1,3(2H)-dione7506-66-340 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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