3-azido-4-(2-hydroxyethyl)azetidin-2-one

C5H8N4O2 — CID 15592389

IUPAC3-azido-4-(2-hydroxyethyl)azetidin-2-one
SMILES[N-]=[N+]=NC1C(=O)NC1CCO
InChIInChI=1S/C5H8N4O2/c6-9-8-4-3(1-2-10)7-5(4)11/h3-4,10H,1-2H2,(H,7,11)
InChIKeyVISHVEHLHXQLDC-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.45
Rot. Bonds3

About 3-azido-4-(2-hydroxyethyl)azetidin-2-one

3-azido-4-(2-hydroxyethyl)azetidin-2-one (PubChem CID 15592389) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-azido-4-(2-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name3-azido-4-(2-hydroxyethyl)azetidin-2-one
PubChem CID15592389
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name3-azido-4-(2-hydroxyethyl)azetidin-2-one
SMILES[N-]=[N+]=NC1C(=O)NC1CCO
InChIInChI=1S/C5H8N4O2/c6-9-8-4-3(1-2-10)7-5(4)11/h3-4,10H,1-2H2,(H,7,11)
InChIKeyVISHVEHLHXQLDC-UHFFFAOYSA-N
XLogP-0.45
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-4-(2-hydroxyethyl)azetidin-2-one?
The IUPAC name of 3-azido-4-(2-hydroxyethyl)azetidin-2-one (CID 15592389) is 3-azido-4-(2-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for 3-azido-4-(2-hydroxyethyl)azetidin-2-one?
The canonical SMILES for 3-azido-4-(2-hydroxyethyl)azetidin-2-one is [N-]=[N+]=NC1C(=O)NC1CCO.
What is the InChIKey of 3-azido-4-(2-hydroxyethyl)azetidin-2-one?
The InChIKey is VISHVEHLHXQLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-9-8-4-3(1-2-10)7-5(4)11/h3-4,10H,1-2H2,(H,7,11).
What are the key properties of 3-azido-4-(2-hydroxyethyl)azetidin-2-one?
3-azido-4-(2-hydroxyethyl)azetidin-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-(2-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 15592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).