2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one

C27H30N2O3 — CID 11247432

IUPAC2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
SMILESO=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21
InChIInChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m0/s1
InChIKeyAPEMGXJASZBCBS-UIOOFZCWSA-N
MW430.55 g/mol
LogP3.84
Rot. Bonds4

About 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one

2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one (PubChem CID 11247432) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
PubChem CID11247432
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one
SMILESO=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21
InChIInChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m0/s1
InChIKeyAPEMGXJASZBCBS-UIOOFZCWSA-N
XLogP3.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The IUPAC name of 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one (CID 11247432) is 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one is O=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc21.
What is the InChIKey of 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
The InChIKey is APEMGXJASZBCBS-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m0/s1.
What are the key properties of 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one?
2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one has a molecular weight of 430.55 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]fluoren-9-one is sourced from PubChem (CID 11247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).