2-[(E)-heptylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Basic information
- CAS
94064-47-8- Standard SMILES
CCCCCC/C=N/N1C(=O)C2C3C=CC(O3)C2C1=O- InChIKey
OIZHTLIILAFLPD-CXUHLZMHSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 2-[(E)-heptylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
- IUPAC
- 2-[(E)-heptylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
NSC6035394064-47-8DTXSID20430128NSC-603532-[(E)-Heptylideneamino]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Database identifiers
- CAS
94064-47-8- PubChem CID
- 9561553
- DTXSID
DTXSID20430128
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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