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

C5H9NO2 — CID 163686029

IUPAC1-(hydroxymethyl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1CO
InChIInChI=1S/C5H9NO2/c1-4-2-5(8)6(4)3-7/h4,7H,2-3H2,1H3
InChIKeyJOYHXHYSXXWSJZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.44
Rot. Bonds1

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

1-(hydroxymethyl)-4-methylazetidin-2-one (PubChem CID 163686029) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-methylazetidin-2-one
PubChem CID163686029
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-(hydroxymethyl)-4-methylazetidin-2-one
SMILESCC1CC(=O)N1CO
InChIInChI=1S/C5H9NO2/c1-4-2-5(8)6(4)3-7/h4,7H,2-3H2,1H3
InChIKeyJOYHXHYSXXWSJZ-UHFFFAOYSA-N
XLogP-0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948
4-(hydroxymethyl)-5-methyl-1-propylpyrrolidin-2-one
CID 117021849
2-methyl-4-oxoazetidine-1-carbaldehyde
CID 118219535
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
4-methyl-1-(4-pyrrolidin-3-ylbut-2-ynyl)azetidin-2-one
CID 91620010
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
(4R)-4-methyl-1-methylsulfonylazetidin-2-one
CID 14061022
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
CID 59582090
CID 59582090
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4-methylazetidin-2-one?
The IUPAC name of 1-(hydroxymethyl)-4-methylazetidin-2-one (CID 163686029) is 1-(hydroxymethyl)-4-methylazetidin-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-4-methylazetidin-2-one?
The canonical SMILES for 1-(hydroxymethyl)-4-methylazetidin-2-one is CC1CC(=O)N1CO.
What is the InChIKey of 1-(hydroxymethyl)-4-methylazetidin-2-one?
The InChIKey is JOYHXHYSXXWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-5(8)6(4)3-7/h4,7H,2-3H2,1H3.
What are the key properties of 1-(hydroxymethyl)-4-methylazetidin-2-one?
1-(hydroxymethyl)-4-methylazetidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-methylazetidin-2-one is sourced from PubChem (CID 163686029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).