(R,Z)-N-Methoxyquinuclidine-3-carbimidoyl cyanide

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Basic information

CAS: 159912-54-6
Standard SMILES: CO/N=C(\C#N)[C@@H]1CN2CCC1CC2
InChIKey: IQWCBYSUUOFOMF-UUOLZROSSA-N
Molecular formula: C10H15N3O
Average molar mass: 193.25 g/mol
Monoisotopic mass: 193.12151211

Names & identifiers

Preferred name: (R,Z)-N-Methoxyquinuclidine-3-carbimidoyl cyanide
IUPAC: (3Z,3S)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide

Names & synonyms

(R,Z)-N-Methoxyquinuclidine-3-carbimidoyl cyanideCHEMBL134345DTXSID201156743159912-54-6(2Z)-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl](methoxyimino)acetonitrile1-Azabicyclo[2.2.2]octane-3-acetonitrile, I+/--(methoxyimino)-, [S-(Z)]-

Database identifiers

CAS: 159912-54-6
PubChem CID: 10104067
DTXSID: DTXSID201156743
ChEMBL: CHEMBL134345

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 48.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 283

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Compound notes

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