1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol

C8H15NO2 — CID 90956240

IUPAC1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol
SMILESCCC(O)N1CC2CC1CO2
InChIInChI=1S/C8H15NO2/c1-2-8(10)9-4-7-3-6(9)5-11-7/h6-8,10H,2-5H2,1H3
InChIKeyUPPPETOBRNRJIY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.19
Rot. Bonds2

About 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol

1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol (PubChem CID 90956240) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol
PubChem CID90956240
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol
SMILESCCC(O)N1CC2CC1CO2
InChIInChI=1S/C8H15NO2/c1-2-8(10)9-4-7-3-6(9)5-11-7/h6-8,10H,2-5H2,1H3
InChIKeyUPPPETOBRNRJIY-UHFFFAOYSA-N
XLogP0.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The IUPAC name of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol (CID 90956240) is 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol.
What is the SMILES notation for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The canonical SMILES for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol is CCC(O)N1CC2CC1CO2.
What is the InChIKey of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The InChIKey is UPPPETOBRNRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-8(10)9-4-7-3-6(9)5-11-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol has a molecular weight of 157.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-1-ol is sourced from PubChem (CID 90956240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).