6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane

C5H10N2O2 — CID 165357138

IUPAC6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane
SMILESC1CC2NNCC1OO2
InChIInChI=1S/C5H10N2O2/c1-2-5-7-6-3-4(1)8-9-5/h4-7H,1-3H2
InChIKeyWLTKFRAIQSOLKB-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.47
Rot. Bonds

About 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane

6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane (PubChem CID 165357138) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane
PubChem CID165357138
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane
SMILESC1CC2NNCC1OO2
InChIInChI=1S/C5H10N2O2/c1-2-5-7-6-3-4(1)8-9-5/h4-7H,1-3H2
InChIKeyWLTKFRAIQSOLKB-UHFFFAOYSA-N
XLogP-0.47
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-oxa-2-azabicyclo[2.2.1]heptane
CID 90981681
(1S,4R)-7-oxa-2-azabicyclo[2.2.1]heptane
CID 159447161
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
CID 170905962
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
CID 175513739
2,3-dioxabicyclo[3.2.1]octan-4-ol
CID 176685712
diazinan-4-ylmethanamine
CID 91317227
2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 144891007
3-ethyl-4-methylpyrazolidine;hydrochloride
CID 170905774
3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole
CID 76844613
2-oxa-7-azabicyclo[3.3.2]decane
CID 118209690
CID 87257493
CID 87257493
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
CID 91886205

Frequently Asked Questions

What is the IUPAC name of 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane?
The IUPAC name of 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane (CID 165357138) is 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane is C1CC2NNCC1OO2.
What is the InChIKey of 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane?
The InChIKey is WLTKFRAIQSOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-5-7-6-3-4(1)8-9-5/h4-7H,1-3H2.
What are the key properties of 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane?
6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane has a molecular weight of 130.15 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dioxa-2,3-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 165357138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).