3,8-Diazabicyclo(3.2.1)octane, 8-(3-(p-ethoxyphenyl)allyl)-3-propionyl-, hydrochloride

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Basic information

CAS: 2492-37-7
Standard SMILES: CCOc1ccc(/C=C/CN2C3CCC2CN(C(=O)CC)C3)cc1.Cl
InChIKey: AEFLHAQQMSYNRE-IPZCTEOASA-N
Molecular formula: C20H29ClN2O2
Average molar mass: 364.9 g/mol
Monoisotopic mass: 364.1917559

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 8-(3-(p-ethoxyphenyl)allyl)-3-propionyl-, hydrochloride
IUPAC: 1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one;hydrochloride

Names & synonyms

3,8-Diazabicyclo(3.2.1)octane, 8-(3-(p-ethoxyphenyl)allyl)-3-propionyl-, hydrochloride2492-37-7RefChem:10662088-(3-(p-Ethoxyphenyl)allyl)-3-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride

Database identifiers

CAS: 2492-37-7
PubChem CID: 6444508

Properties

Computed structural properties

Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 429

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