4-(3-hydroxyoxiran-2-yl)azetidin-2-one

C5H7NO3 — CID 123152470

IUPAC4-(3-hydroxyoxiran-2-yl)azetidin-2-one
SMILESO=C1CC(C2OC2O)N1
InChIInChI=1S/C5H7NO3/c7-3-1-2(6-3)4-5(8)9-4/h2,4-5,8H,1H2,(H,6,7)
InChIKeyVVGDHWFYQYDQPT-UHFFFAOYSA-N
MW129.11 g/mol
LogP-1.41
Rot. Bonds1

About 4-(3-hydroxyoxiran-2-yl)azetidin-2-one

4-(3-hydroxyoxiran-2-yl)azetidin-2-one (PubChem CID 123152470) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-(3-hydroxyoxiran-2-yl)azetidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyoxiran-2-yl)azetidin-2-one
PubChem CID123152470
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-(3-hydroxyoxiran-2-yl)azetidin-2-one
SMILESO=C1CC(C2OC2O)N1
InChIInChI=1S/C5H7NO3/c7-3-1-2(6-3)4-5(8)9-4/h2,4-5,8H,1H2,(H,6,7)
InChIKeyVVGDHWFYQYDQPT-UHFFFAOYSA-N
XLogP-1.41
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyoxiran-2-yl)azetidin-2-one?
The IUPAC name of 4-(3-hydroxyoxiran-2-yl)azetidin-2-one (CID 123152470) is 4-(3-hydroxyoxiran-2-yl)azetidin-2-one.
What is the SMILES notation for 4-(3-hydroxyoxiran-2-yl)azetidin-2-one?
The canonical SMILES for 4-(3-hydroxyoxiran-2-yl)azetidin-2-one is O=C1CC(C2OC2O)N1.
What is the InChIKey of 4-(3-hydroxyoxiran-2-yl)azetidin-2-one?
The InChIKey is VVGDHWFYQYDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-1-2(6-3)4-5(8)9-4/h2,4-5,8H,1H2,(H,6,7).
What are the key properties of 4-(3-hydroxyoxiran-2-yl)azetidin-2-one?
4-(3-hydroxyoxiran-2-yl)azetidin-2-one has a molecular weight of 129.11 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyoxiran-2-yl)azetidin-2-one is sourced from PubChem (CID 123152470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).