2-hydroxy-1-azabicyclo[2.2.2]octan-3-one

C7H11NO2 — CID 19809213

IUPAC2-hydroxy-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1O
InChIInChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5,7,10H,1-4H2
InChIKeyVTZRZHDIGCNBES-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.40
Rot. Bonds

About 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one

2-hydroxy-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 19809213) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-hydroxy-1-azabicyclo[2.2.2]octan-3-one
PubChem CID19809213
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-hydroxy-1-azabicyclo[2.2.2]octan-3-one
SMILESO=C1C2CCN(CC2)C1O
InChIInChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5,7,10H,1-4H2
InChIKeyVTZRZHDIGCNBES-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one (CID 19809213) is 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one is O=C1C2CCN(CC2)C1O.
What is the InChIKey of 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is VTZRZHDIGCNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5,7,10H,1-4H2.
What are the key properties of 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one?
2-hydroxy-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 19809213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).