(E)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole

HCID 9855792
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Basic information

Standard SMILES
C(=C\C1CC2CCCC1N2)/c1ccno1
InChIKey
XPNFDYBKKBHNPA-SNAWJCMRSA-N
Molecular formula
C12H16N2O
Average molar mass
204.27 g/mol
Monoisotopic mass
204.12626314

Names & identifiers

Preferred name
(E)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole
IUPAC
5-[(E)-2-(8-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1,2-oxazole

Names & synonyms

SCHEMBL5847899XPNFDYBKKBHNPA-SNAWJCMRSA-N(E)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole

Database identifiers

PubChem CID
9855792

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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(E)-5-(2-(8-azabicyclo[3.2.1]oct-6-yl)ethenyl)isoxazole (HCID 9855792)｜Huagongshe