3-hydroperoxy-8-azabicyclo[3.2.1]octane

C7H13NO2 — CID 88926780

IUPAC3-hydroperoxy-8-azabicyclo[3.2.1]octane
SMILESOOC1CC2CCC(C1)N2
InChIInChI=1S/C7H13NO2/c9-10-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2
InChIKeyJUDOTIVUELXLSM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.76
Rot. Bonds1

About 3-hydroperoxy-8-azabicyclo[3.2.1]octane

3-hydroperoxy-8-azabicyclo[3.2.1]octane (PubChem CID 88926780) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydroperoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-hydroperoxy-8-azabicyclo[3.2.1]octane
PubChem CID88926780
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-hydroperoxy-8-azabicyclo[3.2.1]octane
SMILESOOC1CC2CCC(C1)N2
InChIInChI=1S/C7H13NO2/c9-10-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2
InChIKeyJUDOTIVUELXLSM-UHFFFAOYSA-N
XLogP0.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-hydroperoxy-8-azabicyclo[3.2.1]octane (CID 88926780) is 3-hydroperoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-hydroperoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-hydroperoxy-8-azabicyclo[3.2.1]octane is OOC1CC2CCC(C1)N2.
What is the InChIKey of 3-hydroperoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is JUDOTIVUELXLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-10-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2.
What are the key properties of 3-hydroperoxy-8-azabicyclo[3.2.1]octane?
3-hydroperoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 143.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 88926780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).