1-azabicyclo-[2,2,2]-octan-3-carboxaldehyde O-2-propynyloxime

HCID 54337673
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Basic information

Standard SMILES
C#CCON=CC1CN2CCC1CC2
InChIKey
TWRBMOHZFSXHOP-UHFFFAOYSA-N
Molecular formula
C11H16N2O
Average molar mass
192.26 g/mol
Monoisotopic mass
192.12626314

Names & identifiers

Preferred name
1-azabicyclo-[2,2,2]-octan-3-carboxaldehyde O-2-propynyloxime
IUPAC
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-prop-2-ynoxymethanimine

Names & synonyms

SCHEMBL9444150TWRBMOHZFSXHOP-UHFFFAOYSA-N1-azabicyclo-[2,2,2]-octan-3-carboxaldehyde O-2-propynyloxime

Database identifiers

PubChem CID
54337673

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
24.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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