1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C12H20N2O2 — CID 63768034

IUPAC1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CN1C2CCC1CC(O)C2)N1CCC1
InChIInChI=1S/C12H20N2O2/c15-11-6-9-2-3-10(7-11)14(9)8-12(16)13-4-1-5-13/h9-11,15H,1-8H2
InChIKeyCZAMURHWPOIRHP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.21
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 63768034) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID63768034
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CN1C2CCC1CC(O)C2)N1CCC1
InChIInChI=1S/C12H20N2O2/c15-11-6-9-2-3-10(7-11)14(9)8-12(16)13-4-1-5-13/h9-11,15H,1-8H2
InChIKeyCZAMURHWPOIRHP-UHFFFAOYSA-N
XLogP0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 63768034) is 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(CN1C2CCC1CC(O)C2)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is CZAMURHWPOIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-6-9-2-3-10(7-11)14(9)8-12(16)13-4-1-5-13/h9-11,15H,1-8H2.
What are the key properties of 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 63768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).