C1CN2CCC1C(=O)C2CC3=CN=CC=C3
CAS: 273748-51-9
Nombre: 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILES: C1CN2CCC1C(=O)C2CC3=CN=CC=C3

Molecular Processing

Molecular formula
C13H16N2O
Molecular weight
216.28
Exact mass
216.1263
XLogP
1.29
TPSA
33.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.03

Supplementary Information

InChIKey: RDZRUHBKCNPOPR-UHFFFAOYSA-N
Sinónimos
2-(Pyridin-3-ylmethyl)quinuclidin-3-one273748-51-9MFCD248486372-(PYRIDIN-3-YLMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-ONE2-[(pyridin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethyl)-SCHEMBL372987SCHEMBL31375366RDZRUHBKCNPOPR-UHFFFAOYSA-N2-(3-pyridylmethyl)quinuclidin-3-oneAKOS027255493AS-69678CS-0037739racemic 2-(3-pyridinylmethyl)-3-quinuclidinoneW103522((3-Pyridinyl)methyl)-1-azabicyclo[2.2.2]octan-3-one2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]octan-3-one2-((3-pyridyl)methyl)-1-azabicyclo[2.2.2]octan-3-one
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