3-ethoxy-1-azabicyclo[2.2.1]heptane

C8H15NO — CID 19848684

IUPAC3-ethoxy-1-azabicyclo[2.2.1]heptane
SMILESCCOC1CN2CCC1C2
InChIInChI=1S/C8H15NO/c1-2-10-8-6-9-4-3-7(8)5-9/h7-8H,2-6H2,1H3
InChIKeyZNVODHWTYXMOJQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds2

About 3-ethoxy-1-azabicyclo[2.2.1]heptane

3-ethoxy-1-azabicyclo[2.2.1]heptane (PubChem CID 19848684) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethoxy-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-ethoxy-1-azabicyclo[2.2.1]heptane
PubChem CID19848684
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethoxy-1-azabicyclo[2.2.1]heptane
SMILESCCOC1CN2CCC1C2
InChIInChI=1S/C8H15NO/c1-2-10-8-6-9-4-3-7(8)5-9/h7-8H,2-6H2,1H3
InChIKeyZNVODHWTYXMOJQ-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-ethoxy-1-azabicyclo[2.2.1]heptane (CID 19848684) is 3-ethoxy-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-ethoxy-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-ethoxy-1-azabicyclo[2.2.1]heptane is CCOC1CN2CCC1C2.
What is the InChIKey of 3-ethoxy-1-azabicyclo[2.2.1]heptane?
The InChIKey is ZNVODHWTYXMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-8-6-9-4-3-7(8)5-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethoxy-1-azabicyclo[2.2.1]heptane?
3-ethoxy-1-azabicyclo[2.2.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19848684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).