1-(2-hydroxyethyl)-4-methylazetidin-2-one

C6H11NO2 — CID 11182619

IUPAC1-(2-hydroxyethyl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1CCO
InChIInChI=1S/C6H11NO2/c1-5-4-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3
InChIKeyRPUUVXGPGNSWBR-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds2

About 1-(2-hydroxyethyl)-4-methylazetidin-2-one

1-(2-hydroxyethyl)-4-methylazetidin-2-one (PubChem CID 11182619) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methylazetidin-2-one
PubChem CID11182619
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(2-hydroxyethyl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1CCO
InChIInChI=1S/C6H11NO2/c1-5-4-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3
InChIKeyRPUUVXGPGNSWBR-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methylazetidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-methylazetidin-2-one (CID 11182619) is 1-(2-hydroxyethyl)-4-methylazetidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methylazetidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methylazetidin-2-one is CC1CC(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methylazetidin-2-one?
The InChIKey is RPUUVXGPGNSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-4-6(9)7(5)2-3-8/h5,8H,2-4H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-4-methylazetidin-2-one?
1-(2-hydroxyethyl)-4-methylazetidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methylazetidin-2-one is sourced from PubChem (CID 11182619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).