Ethyl 3-(8-isopropylidene-1,3-dioxo-1,3,3A,4,7,7A-hexahydro-2H-4,7-methanoisoindol-2-YL)benzoate
Basic information
- CAS
5830-73-9- Standard SMILES
CCOC(=O)c1cccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)c1- InChIKey
MJHFXWYITFVTBE-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- Ethyl 3-(8-isopropylidene-1,3-dioxo-1,3,3A,4,7,7A-hexahydro-2H-4,7-methanoisoindol-2-YL)benzoate
- IUPAC
- ethyl 3-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Names & synonyms
5830-73-9ethyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoateethyl 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzoateAC1MJFGYCBMicro_034581Oprea1_318654Oprea1_791323DTXSID80389688STK260124AKOS000365123AKOS021996283BIM-0034718.P001
Show more names
SR-01000470784SR-01000470784-1
Database identifiers
- CAS
5830-73-9- PubChem CID
- 3136628
- DTXSID
DTXSID80389688
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 684
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Related reactions
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Compound notes
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