9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one

C12H19NO2 — CID 80715836

IUPAC9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1CCOC1
InChIInChI=1S/C12H19NO2/c14-12-6-9-2-1-3-10(7-12)13(9)11-4-5-15-8-11/h9-11H,1-8H2
InChIKeyRBTLLCCIYACBGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.36
Rot. Bonds1

About 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one

9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 80715836) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID80715836
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1CCOC1
InChIInChI=1S/C12H19NO2/c14-12-6-9-2-1-3-10(7-12)13(9)11-4-5-15-8-11/h9-11H,1-8H2
InChIKeyRBTLLCCIYACBGR-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one (CID 80715836) is 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2C1CCOC1.
What is the InChIKey of 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is RBTLLCCIYACBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12-6-9-2-1-3-10(7-12)13(9)11-4-5-15-8-11/h9-11H,1-8H2.
What are the key properties of 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 80715836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).