2-(Pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

HCID 611822CAS 273748-55-3

Basic information

Standard SMILES
O=C1C(=Cc2cccnc2)N2CCC1CC2
InChIKey
QCIUVDYZQNETIG-UHFFFAOYSA-N
Molecular formula
C13H14N2O
Average molar mass
214.26 g/mol
Monoisotopic mass
214.11061307

Names & identifiers

Preferred name
2-(Pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
IUPAC
2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
English name
1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethylene)-
Molecular formula
C13H14N2O
Molecular weight
214.26

Names & synonyms

2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one273748-55-32-(3-pyridylmethylene)-1-azabicyclo[2.2.2]octan-3one(2E)-2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one2-(pyridin-3-ylmethylene)quinuclidin-3-one1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethylene)-SCHEMBL372886DTXSID40346398QCIUVDYZQNETIG-UHFFFAOYSA-NAKOS0302400902-(3-pyridylmethylene)quinuclidin-3-one2-(3-pyridylmethylene)-1-azabicyclo[2.2.2]octan-3-one
Show more names
(E)-2-(pyridin-3-ylmethylene)quinuclidin-3-one(2Z)-2-[(Pyridin-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
2-((3-pyridyl)methylene)-1-azabicyclo[2.2.2]octan-3-one2-(3-Pyridinyl)methylene-1-azabicyclo[2.2.2]octan-3-one2((3-Pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-one2-((3-Pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-one2-[(Pyridin-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Database identifiers

CAS
273748-55-3
PubChem CID
611822
DTXSID
DTXSID40346398

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Boiling point
407.5 · 407.5±44.0 °C(Predicted)
Density
1.22 · 1.22±0.1 g/cm3(Predicted)
pka
3.99 · 3.99±0.12(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers4 total

奥夫仑医药(四川)有限公司17336178085 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
苏州华诺医药有限公司0512-6956-1983 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]

Related reactions

56 records

Linked notes

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