ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one

C10H19NO2 — CID 159223821

IUPACethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC.O=C1CC2CCCC(C1)N2O
InChIInChI=1S/C8H13NO2.C2H6/c10-8-4-6-2-1-3-7(5-8)9(6)11;1-2/h6-7,11H,1-5H2;1-2H3
InChIKeyNYJAPGGDJJUBDY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.99
Rot. Bonds

About ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one

ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 159223821) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Nameethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID159223821
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC.O=C1CC2CCCC(C1)N2O
InChIInChI=1S/C8H13NO2.C2H6/c10-8-4-6-2-1-3-7(5-8)9(6)11;1-2/h6-7,11H,1-5H2;1-2H3
InChIKeyNYJAPGGDJJUBDY-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one (CID 159223821) is ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one is CC.O=C1CC2CCCC(C1)N2O.
What is the InChIKey of ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is NYJAPGGDJJUBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c10-8-4-6-2-1-3-7(5-8)9(6)11;1-2/h6-7,11H,1-5H2;1-2H3.
What are the key properties of ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one?
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 159223821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).