3,7-dioxa-9-azabicyclo[3.3.1]nonane

C6H11NO2 — CID 11528433

IUPAC3,7-dioxa-9-azabicyclo[3.3.1]nonane
SMILESC1OCC2COCC1N2
InChIInChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2
InChIKeyNHUACECKDDIIEA-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.63
Rot. Bonds

About 3,7-dioxa-9-azabicyclo[3.3.1]nonane

3,7-dioxa-9-azabicyclo[3.3.1]nonane (PubChem CID 11528433) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,7-dioxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-dioxa-9-azabicyclo[3.3.1]nonane
PubChem CID11528433
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,7-dioxa-9-azabicyclo[3.3.1]nonane
SMILESC1OCC2COCC1N2
InChIInChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2
InChIKeyNHUACECKDDIIEA-UHFFFAOYSA-N
XLogP-0.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3,7-dioxa-9-azabicyclo[3.3.1]nonane (CID 11528433) is 3,7-dioxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-dioxa-9-azabicyclo[3.3.1]nonane is C1OCC2COCC1N2.
What is the InChIKey of 3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is NHUACECKDDIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2.
What are the key properties of 3,7-dioxa-9-azabicyclo[3.3.1]nonane?
3,7-dioxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 129.16 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dioxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 11528433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).