8-Methyl-8-azabicyclo(3.2.1)octan-3-one O-((5-bromo-3-pyridinyl)carbonyl)oxime

Substructure search Find similar structures

Basic information

CAS: 214785-13-4
Standard SMILES: CN1C2CCC1CC(=NOC(=O)c1cncc(Br)c1)C2
InChIKey: UDOJXRNCHJZLRQ-UHFFFAOYSA-N
Molecular formula: C14H16BrN3O2
Average molar mass: 338.2 g/mol
Monoisotopic mass: 337.04259

Names & identifiers

Preferred name: 8-Methyl-8-azabicyclo(3.2.1)octan-3-one O-((5-bromo-3-pyridinyl)carbonyl)oxime
IUPAC: [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] 5-bromopyridine-3-carboxylate

Names & synonyms

8-Methyl-8-azabicyclo[3.2.1]octan-3-one o-[(5-bromo-3-pyridinyl)carbonyl]oxime214785-13-48-Methyl-8-azabicyclo(3.2.1)octan-3-one O-((5-bromo-3-pyridinyl)carbonyl)oximeRefChem:312195UDOJXRNCHJZLRQ-UHFFFAOYSA-NDTXSID201137218AH-034/33492006(5-Bromopyridin-3-yl){[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxy}methanone8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-, oxime, o-(5-bromo-3-pyridylcarbonyl)-8-Methyl-8-azabicyclo[3.2.1]octan-3-one o-[(5-bromo-3-pyridinyl)carbonyl]oxime #

Database identifiers

CAS: 214785-13-4
PubChem CID: 557690
DTXSID: DTXSID201137218

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 54.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 399

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…