5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane

C8H15NO — CID 118461704

IUPAC5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane
SMILESCCOC12CCN(C)C1C2
InChIInChI=1S/C8H15NO/c1-3-10-8-4-5-9(2)7(8)6-8/h7H,3-6H2,1-2H3
InChIKeySCAYHDLYOPXBOM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds2

About 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane

5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 118461704) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID118461704
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane
SMILESCCOC12CCN(C)C1C2
InChIInChI=1S/C8H15NO/c1-3-10-8-4-5-9(2)7(8)6-8/h7H,3-6H2,1-2H3
InChIKeySCAYHDLYOPXBOM-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane (CID 118461704) is 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane is CCOC12CCN(C)C1C2.
What is the InChIKey of 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is SCAYHDLYOPXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-4-5-9(2)7(8)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane?
5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 141.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118461704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).