2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one

C20H19NO2 — CID 11220466

IUPAC2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21
InChIInChI=1S/C20H19NO2/c22-20-17-4-2-1-3-15(17)16-6-5-14(11-18(16)20)23-19-12-21-9-7-13(19)8-10-21/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1
InChIKeyXGZAVASCVGOUOM-LJQANCHMSA-N
MW305.38 g/mol
LogP3.37
Rot. Bonds2

About 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one

2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one (PubChem CID 11220466) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one.

Molecular Properties

Compound Name2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
PubChem CID11220466
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21
InChIInChI=1S/C20H19NO2/c22-20-17-4-2-1-3-15(17)16-6-5-14(11-18(16)20)23-19-12-21-9-7-13(19)8-10-21/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1
InChIKeyXGZAVASCVGOUOM-LJQANCHMSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The IUPAC name of 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one (CID 11220466) is 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one.
What is the SMILES notation for 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The canonical SMILES for 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one is O=C1c2ccccc2-c2ccc(O[C@@H]3CN4CCC3CC4)cc21.
What is the InChIKey of 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The InChIKey is XGZAVASCVGOUOM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NO2/c22-20-17-4-2-1-3-15(17)16-6-5-14(11-18(16)20)23-19-12-21-9-7-13(19)8-10-21/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1.
What are the key properties of 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one has a molecular weight of 305.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one is sourced from PubChem (CID 11220466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).