5,9-dioxa-2-azabicyclo[6.2.0]decane

C7H13NO2 — CID 122672123

IUPAC5,9-dioxa-2-azabicyclo[6.2.0]decane
SMILESC1COCCC2OCC2N1
InChIInChI=1S/C7H13NO2/c1-3-9-4-2-8-6-5-10-7(1)6/h6-8H,1-5H2
InChIKeyQTQKKBKUCOSHLO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.24
Rot. Bonds

About 5,9-dioxa-2-azabicyclo[6.2.0]decane

5,9-dioxa-2-azabicyclo[6.2.0]decane (PubChem CID 122672123) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5,9-dioxa-2-azabicyclo[6.2.0]decane.

Molecular Properties

Compound Name5,9-dioxa-2-azabicyclo[6.2.0]decane
PubChem CID122672123
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5,9-dioxa-2-azabicyclo[6.2.0]decane
SMILESC1COCCC2OCC2N1
InChIInChI=1S/C7H13NO2/c1-3-9-4-2-8-6-5-10-7(1)6/h6-8H,1-5H2
InChIKeyQTQKKBKUCOSHLO-UHFFFAOYSA-N
XLogP-0.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,9-dioxa-2-azabicyclo[6.2.0]decane?
The IUPAC name of 5,9-dioxa-2-azabicyclo[6.2.0]decane (CID 122672123) is 5,9-dioxa-2-azabicyclo[6.2.0]decane.
What is the SMILES notation for 5,9-dioxa-2-azabicyclo[6.2.0]decane?
The canonical SMILES for 5,9-dioxa-2-azabicyclo[6.2.0]decane is C1COCCC2OCC2N1.
What is the InChIKey of 5,9-dioxa-2-azabicyclo[6.2.0]decane?
The InChIKey is QTQKKBKUCOSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-9-4-2-8-6-5-10-7(1)6/h6-8H,1-5H2.
What are the key properties of 5,9-dioxa-2-azabicyclo[6.2.0]decane?
5,9-dioxa-2-azabicyclo[6.2.0]decane has a molecular weight of 143.19 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dioxa-2-azabicyclo[6.2.0]decane is sourced from PubChem (CID 122672123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).