Dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo(3.2.1)oct-3-ene-4,7-dicarboxylate

HCID 494236

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Basic information

CAS: 73500-90-0
Standard SMILES: COC(=O)C1=C(C)NC2(C)C(C(=O)OC)CC1C2(C(C)=O)C(C)=O
InChIKey: XIHLKKDRTXPIBI-UHFFFAOYSA-N
Molecular formula: C17H23NO6
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.15253745

Names & identifiers

Preferred name: Dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo(3.2.1)oct-3-ene-4,7-dicarboxylate
IUPAC: dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate

Names & synonyms

73500-90-0NSC 328134Dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo(3.2.1)oct-3-ene-4,7-dicarboxylateNSC328134Dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylatedimethyl 8,8-diacetyl-3,5-dimethyl-4-azabicyclo[3.2.1]oct-2-ene-2,6-dicarboxylate

Database identifiers

CAS: 73500-90-0
PubChem CID: 494236

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 98.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 650

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