3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-

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Basic information

CAS: 59038-07-2
Standard SMILES: CCC(=O)N1C2CCC1CN(C/C=C/c1ccccc1Cl)C2
InChIKey: WOZGBTQJZSOEEM-UHFFFAOYSA-N
Molecular formula: C18H23ClN2O
Average molar mass: 318.8 g/mol
Monoisotopic mass: 318.1498911

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-
IUPAC: 1-[3-[(E)-3-(2-chlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
English name: 3-[3-(o-Chlorophenyl)allyl]-8-propionyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C18H23ClN2O
Molecular weight: 318.84

Names & synonyms

59038-07-23,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROCINNAMYL)-8-PROPIONYL-RefChem:1066196BRN 06206523-(o-Chlorocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane3-[3-(o-Chlorophenyl)allyl]-8-propionyl-3,8-diazabicyclo[3.2.1]octane1-Propanone, 1-[3-[3-(2-chlorophenyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]oct-8-yl]-

Database identifiers

CAS: 59038-07-2
PubChem CID: 6433336
Nikkaji: J68.416C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 411

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