5-oxa-2,8-diazabicyclo[5.2.0]nonane

C6H12N2O — CID 118209901

IUPAC5-oxa-2,8-diazabicyclo[5.2.0]nonane
SMILESC1COCC2NCC2N1
InChIInChI=1S/C6H12N2O/c1-2-9-4-6-5(7-1)3-8-6/h5-8H,1-4H2
InChIKeyPRUBILPRSUOKQO-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.05
Rot. Bonds

About 5-oxa-2,8-diazabicyclo[5.2.0]nonane

5-oxa-2,8-diazabicyclo[5.2.0]nonane (PubChem CID 118209901) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 5-oxa-2,8-diazabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name5-oxa-2,8-diazabicyclo[5.2.0]nonane
PubChem CID118209901
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name5-oxa-2,8-diazabicyclo[5.2.0]nonane
SMILESC1COCC2NCC2N1
InChIInChI=1S/C6H12N2O/c1-2-9-4-6-5(7-1)3-8-6/h5-8H,1-4H2
InChIKeyPRUBILPRSUOKQO-UHFFFAOYSA-N
XLogP-1.05
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 ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-2,8-diazabicyclo[5.2.0]nonane?
The IUPAC name of 5-oxa-2,8-diazabicyclo[5.2.0]nonane (CID 118209901) is 5-oxa-2,8-diazabicyclo[5.2.0]nonane.
What is the SMILES notation for 5-oxa-2,8-diazabicyclo[5.2.0]nonane?
The canonical SMILES for 5-oxa-2,8-diazabicyclo[5.2.0]nonane is C1COCC2NCC2N1.
What is the InChIKey of 5-oxa-2,8-diazabicyclo[5.2.0]nonane?
The InChIKey is PRUBILPRSUOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-9-4-6-5(7-1)3-8-6/h5-8H,1-4H2.
What are the key properties of 5-oxa-2,8-diazabicyclo[5.2.0]nonane?
5-oxa-2,8-diazabicyclo[5.2.0]nonane has a molecular weight of 128.18 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-2,8-diazabicyclo[5.2.0]nonane is sourced from PubChem (CID 118209901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).