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
- Formal charge
- 0
- Complexity
- 316
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
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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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