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

C5H9NO2 — CID 70498789

IUPAC4-(1-hydroxyethyl)azetidin-2-one
SMILESCC(O)C1CC(=O)N1
InChIInChI=1S/C5H9NO2/c1-3(7)4-2-5(8)6-4/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyKQIPCFXJIJQZOZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.74
Rot. Bonds1

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

4-(1-hydroxyethyl)azetidin-2-one (PubChem CID 70498789) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)azetidin-2-one
PubChem CID70498789
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-(1-hydroxyethyl)azetidin-2-one
SMILESCC(O)C1CC(=O)N1
InChIInChI=1S/C5H9NO2/c1-3(7)4-2-5(8)6-4/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyKQIPCFXJIJQZOZ-UHFFFAOYSA-N
XLogP-0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hydroxymethyl)azetidin-2-one
CID 12560725
(4S)-4-(hydroxymethyl)azetidin-2-one
CID 10964424
(3S,4S)-4-(hydroxymethyl)-3-methylazetidin-2-one
CID 14510845
(3R,4R)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
CID 57784953
4-(1,1-Difluoroethyl)-3-hydroxy-azetidin-2-one
CID 68940200
cis-4-(1,1-Difluoroethyl)-3-hydroxy-2-azetidinone
CID 68940202
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860
(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11446396
(R)-4-(Hydroxymethyl)azetidin-2-one
CID 11962861
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one
CID 18642577
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 20735660

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)azetidin-2-one?
The IUPAC name of 4-(1-hydroxyethyl)azetidin-2-one (CID 70498789) is 4-(1-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for 4-(1-hydroxyethyl)azetidin-2-one?
The canonical SMILES for 4-(1-hydroxyethyl)azetidin-2-one is CC(O)C1CC(=O)N1.
What is the InChIKey of 4-(1-hydroxyethyl)azetidin-2-one?
The InChIKey is KQIPCFXJIJQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3(7)4-2-5(8)6-4/h3-4,7H,2H2,1H3,(H,6,8).
What are the key properties of 4-(1-hydroxyethyl)azetidin-2-one?
4-(1-hydroxyethyl)azetidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 70498789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).