2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol

C9H17NO2 — CID 156546441

IUPAC2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
SMILESCOCCN1CC2CC1CC2O
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-6-7-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyOXDTZZFERXVURV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds3

About 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol

2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol (PubChem CID 156546441) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
PubChem CID156546441
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
SMILESCOCCN1CC2CC1CC2O
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-6-7-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyOXDTZZFERXVURV-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol (CID 156546441) is 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol is COCCN1CC2CC1CC2O.
What is the InChIKey of 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol?
The InChIKey is OXDTZZFERXVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-3-2-10-6-7-4-8(10)5-9(7)11/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol?
2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 156546441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).