3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene

HCID 433352

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Basic information

CAS: 70156-86-4
Standard SMILES: O=C(c1ccccc1)N1OC2C=CC1CC2
InChIKey: UDSPWWLYUFTTAW-UHFFFAOYSA-N
Molecular formula: C13H13NO2
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.09462866

Names & identifiers

Preferred name: 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
IUPAC: 2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)methanone

Names & synonyms

70156-86-4NSC 3283573-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]oct-5-eneRefChem:276941NSC3283573-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl(phenyl)methanoneSCHEMBL31305672DTXSID90990401UDSPWWLYUFTTAW-UHFFFAOYSA-NNSC-3283572-Oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-benzoyl-

Show more names

3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene #(2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)(phenyl)methanone

Database identifiers

CAS: 70156-86-4
PubChem CID: 433352
DTXSID: DTXSID90990401
Nikkaji: J718.886B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 307

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