3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol

C10H17NO3 — CID 131048816

IUPAC3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol
SMILESOC1CCOCC1N1CC2CC1CO2
InChIInChI=1S/C10H17NO3/c12-10-1-2-13-6-9(10)11-4-8-3-7(11)5-14-8/h7-10,12H,1-6H2
InChIKeyLPUCWDSPLPQMFV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.39
Rot. Bonds1

About 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol

3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol (PubChem CID 131048816) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol
PubChem CID131048816
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol
SMILESOC1CCOCC1N1CC2CC1CO2
InChIInChI=1S/C10H17NO3/c12-10-1-2-13-6-9(10)11-4-8-3-7(11)5-14-8/h7-10,12H,1-6H2
InChIKeyLPUCWDSPLPQMFV-UHFFFAOYSA-N
XLogP-0.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol?
The IUPAC name of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol (CID 131048816) is 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol.
What is the SMILES notation for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol?
The canonical SMILES for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol is OC1CCOCC1N1CC2CC1CO2.
What is the InChIKey of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol?
The InChIKey is LPUCWDSPLPQMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10-1-2-13-6-9(10)11-4-8-3-7(11)5-14-8/h7-10,12H,1-6H2.
What are the key properties of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol?
3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol has a molecular weight of 199.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)oxan-4-ol is sourced from PubChem (CID 131048816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).