1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one

C13H23NO3 — CID 113375215

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23NO3/c1-9(17-2)3-6-13(16)14-10-4-5-11(14)8-12(15)7-10/h9-12,15H,3-8H2,1-2H3
InChIKeyRITQHPZOIYWIRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.32
Rot. Bonds4

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one (PubChem CID 113375215) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one
PubChem CID113375215
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23NO3/c1-9(17-2)3-6-13(16)14-10-4-5-11(14)8-12(15)7-10/h9-12,15H,3-8H2,1-2H3
InChIKeyRITQHPZOIYWIRL-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one (CID 113375215) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one is COC(C)CCC(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one?
The InChIKey is RITQHPZOIYWIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(17-2)3-6-13(16)14-10-4-5-11(14)8-12(15)7-10/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxypentan-1-one is sourced from PubChem (CID 113375215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).