7-oxa-2,9-diazabicyclo[3.3.1]nonane

C6H12N2O — CID 123542962

IUPAC7-oxa-2,9-diazabicyclo[3.3.1]nonane
SMILESC1CC2COCC(N1)N2
InChIInChI=1S/C6H12N2O/c1-2-7-6-4-9-3-5(1)8-6/h5-8H,1-4H2
InChIKeyDIJATVQAQXQFFR-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.71
Rot. Bonds

About 7-oxa-2,9-diazabicyclo[3.3.1]nonane

7-oxa-2,9-diazabicyclo[3.3.1]nonane (PubChem CID 123542962) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 7-oxa-2,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-oxa-2,9-diazabicyclo[3.3.1]nonane
PubChem CID123542962
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name7-oxa-2,9-diazabicyclo[3.3.1]nonane
SMILESC1CC2COCC(N1)N2
InChIInChI=1S/C6H12N2O/c1-2-7-6-4-9-3-5(1)8-6/h5-8H,1-4H2
InChIKeyDIJATVQAQXQFFR-UHFFFAOYSA-N
XLogP-0.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 7-oxa-2,9-diazabicyclo[3.3.1]nonane (CID 123542962) is 7-oxa-2,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-oxa-2,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 7-oxa-2,9-diazabicyclo[3.3.1]nonane is C1CC2COCC(N1)N2.
What is the InChIKey of 7-oxa-2,9-diazabicyclo[3.3.1]nonane?
The InChIKey is DIJATVQAQXQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-7-6-4-9-3-5(1)8-6/h5-8H,1-4H2.
What are the key properties of 7-oxa-2,9-diazabicyclo[3.3.1]nonane?
7-oxa-2,9-diazabicyclo[3.3.1]nonane has a molecular weight of 128.18 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 123542962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).