2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Basic information
- CAS
294652-12-3- Standard SMILES
COc1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O- InChIKey
XRULRZXSODUQHB-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
- IUPAC
- 4-(2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dioneMLS000072233IFLab1_000547SCHEMBL5512699CHEMBL1311568HMS1413I19HMS2164A06HMS3315C08STK2745564-(2-Methoxy-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dioneAKOS000613732AKOS022070236
Show more names
IDI1_008766SMR000008900EU-0003168ST50229551SR-01000416650SR-01000416650-1F0144-00224-(2-methoxyphenyl)-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione
Database identifiers
- CAS
294652-12-3- PubChem CID
- 656323
- ChEMBL
CHEMBL1311568- EC Number
- 158-454-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
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Related reactions
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Compound notes
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