1-(3-hydroxyazetidin-1-yl)ethanone

C5H9NO2 — CID 11062345

IUPAC1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(O)C1
InChIInChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3
InChIKeyCSJAIVZAJZXEAW-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.79
Rot. Bonds

About 1-(3-hydroxyazetidin-1-yl)ethanone

1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 11062345) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID11062345
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(O)C1
InChIInChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3
InChIKeyCSJAIVZAJZXEAW-UHFFFAOYSA-N
XLogP-0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)ethanone (CID 11062345) is 1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)ethanone is CC(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is CSJAIVZAJZXEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)ethanone?
1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 115.13 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 11062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).