2-Ethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Basic information
- CAS
31500-38-6- Standard SMILES
CCN1C(=O)C2C3C=CC(C3)C2C1=O- InChIKey
HDNAENGLYCLHFK-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 2-Ethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
- IUPAC
- 4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
31500-38-6DTXSID909534902-ethyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneRefChem:1063049DTXCID101381541cis-endo-N-Ethyl-5-norbornene-2,3-dicarboximide4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneNSC 68810NSC688105-Norbornene-2,3-dicarboximide, N-ethyl-, (Z)-endo-cis-3,6-Endomethylene-1,2,3,6-tetrahydrophthalic acid N-ethylimideSCHEMBL522134
Show more names
NSC-68810AKOS027475509
Database identifiers
- CAS
31500-38-6- PubChem CID
- 98022
- DTXSID
DTXSID90953490- Nikkaji
- J1.812.068B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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