2-Anilino-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Basic information
- CAS
3241-08-5- Standard SMILES
O=C1C2C3C=CC(O3)C2C(=O)N1Nc1ccccc1- InChIKey
CJZDDUFLNSBBTF-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 2-Anilino-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
- IUPAC
- 2-anilino-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
MLS002693190NSC587243241-08-5anilino[?]dioneNCIOpen2_002427CHEMBL1870281DTXSID40289054HMS3080D16NSC-58724SMR0015591512-Anilino-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3-dione2-Anilino-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Database identifiers
- CAS
3241-08-5- PubChem CID
- 246137
- DTXSID
DTXSID40289054- ChEMBL
CHEMBL1870281
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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