2-(2-Hydroxyethyl)hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
Basic information
- CAS
89104-72-3- Standard SMILES
O=C1C2C3CCC(C3)C2C(=O)N1CCO- InChIKey
VSDUHIWUSGJHTJ-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethyl)hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- IUPAC
- 4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Names & synonyms
89104-72-32-(2-hydroxyethyl)hexahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneNSC123865DTXSID80298524NSC-123865
Database identifiers
- CAS
89104-72-3- PubChem CID
- 276281
- DTXSID
DTXSID80298524
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
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