2-Ethyl-3a,4,5,9b-tetrahydro-6,7-dimethoxy-1H-benz[e]isoindole-1,3(2H)-dione

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Basic information

CAS: 107336-80-1
Standard SMILES: CCN1C(=O)C2CCc3c(ccc(OC)c3OC)C2C1=O
InChIKey: QYCUTJOBXYBIAT-UHFFFAOYSA-N
Molecular formula: C16H19NO4
Average molar mass: 289.33 g/mol
Monoisotopic mass: 289.13140809

Names & identifiers

Preferred name: 2-Ethyl-3a,4,5,9b-tetrahydro-6,7-dimethoxy-1H-benz[e]isoindole-1,3(2H)-dione
IUPAC: 2-ethyl-6,7-dimethoxy-3a,4,5,9b-tetrahydrobenzo[e]isoindole-1,3-dione

Names & synonyms

SCHEMBL10836654QYCUTJOBXYBIAT-UHFFFAOYSA-NDTXSID5011407432-Ethyl-3a,4,5,9b-tetrahydro-6,7-dimethoxy-1H-benz[e]isoindole-1,3(2H)-dione107336-80-12-Ethyl-3a,4,5,9b-tetrahydro-6,7-dimethoxy-1H-benz[e]isoindole-1,3-(2H)-dione2-Ethyl-6,7-dimethoxy-3a,4,5,9b-tetrahydro-1H-benzo[e]isoindole-1,3(2H)-dione

Database identifiers

CAS: 107336-80-1
PubChem CID: 13746005
DTXSID: DTXSID501140743

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 438

Related reactions

1 records

New reaction record

HRID 2290905As productuspto-grants-1986_10

Compound notes

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