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

C7H11NO2 — CID 57047916

IUPAC3-hydroxy-1-azabicyclo[2.2.2]octan-2-one
SMILESO=C1C(O)C2CCN1CC2
InChIInChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5-6,9H,1-4H2
InChIKeyJKIVDBDFZRNKKW-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.40
Rot. Bonds

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

3-hydroxy-1-azabicyclo[2.2.2]octan-2-one (PubChem CID 57047916) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-azabicyclo[2.2.2]octan-2-one
PubChem CID57047916
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-hydroxy-1-azabicyclo[2.2.2]octan-2-one
SMILESO=C1C(O)C2CCN1CC2
InChIInChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5-6,9H,1-4H2
InChIKeyJKIVDBDFZRNKKW-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one?
The IUPAC name of 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one (CID 57047916) is 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one?
The canonical SMILES for 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one is O=C1C(O)C2CCN1CC2.
What is the InChIKey of 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one?
The InChIKey is JKIVDBDFZRNKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-5-1-3-8(4-2-5)7(6)10/h5-6,9H,1-4H2.
What are the key properties of 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one?
3-hydroxy-1-azabicyclo[2.2.2]octan-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-azabicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 57047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).