Basic information
- CAS
20711-78-8- Standard SMILES
Cc1ccccc1N1C(=O)C2C3CCC(O3)C2C1=O- InChIKey
WPFYQSJKOJNEMK-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 2-(2-Methylphenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
- IUPAC
- 2-(2-methylphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
20711-78-82-(2-methylphenyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dioneDTXSID80942919RefChem:1060915DTXCID1013713024-(2-methylphenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dioneMLS001179064SCHEMBL3497134CHEMBL1497892HMS2844G08exo,cis-N-(o-Tolyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide2-(2-methylphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Show more names
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-tolyl)-, exo-(Z)-2-(2-methylphenyl)-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-methylphenyl)-, exo-(Z)-NCGC00247252-01SMR000477882AR-013/42256289
Database identifiers
- CAS
20711-78-8- PubChem CID
- 89372
- DTXSID
DTXSID80942919- ChEMBL
CHEMBL1497892
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility>38.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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