5-methoxy-2-azabicyclo[2.1.1]hexane

C6H11NO — CID 166523054

IUPAC5-methoxy-2-azabicyclo[2.1.1]hexane
SMILESCOC1C2CNC1C2
InChIInChI=1S/C6H11NO/c1-8-6-4-2-5(6)7-3-4/h4-7H,2-3H2,1H3
InChIKeyPZGQALJMZWYDHN-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds1

About 5-methoxy-2-azabicyclo[2.1.1]hexane

5-methoxy-2-azabicyclo[2.1.1]hexane (PubChem CID 166523054) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-methoxy-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-methoxy-2-azabicyclo[2.1.1]hexane
PubChem CID166523054
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-methoxy-2-azabicyclo[2.1.1]hexane
SMILESCOC1C2CNC1C2
InChIInChI=1S/C6H11NO/c1-8-6-4-2-5(6)7-3-4/h4-7H,2-3H2,1H3
InChIKeyPZGQALJMZWYDHN-UHFFFAOYSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-methoxy-2-azabicyclo[2.1.1]hexane (CID 166523054) is 5-methoxy-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-methoxy-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-methoxy-2-azabicyclo[2.1.1]hexane is COC1C2CNC1C2.
What is the InChIKey of 5-methoxy-2-azabicyclo[2.1.1]hexane?
The InChIKey is PZGQALJMZWYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-5(6)7-3-4/h4-7H,2-3H2,1H3.
What are the key properties of 5-methoxy-2-azabicyclo[2.1.1]hexane?
5-methoxy-2-azabicyclo[2.1.1]hexane has a molecular weight of 113.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 166523054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).