1-azidoazetidin-2-one

C3H4N4O — CID 70471446

IUPAC1-azidoazetidin-2-one
SMILES[N-]=[N+]=NN1CCC1=O
InChIInChI=1S/C3H4N4O/c4-5-6-7-2-1-3(7)8/h1-2H2
InChIKeyUIDAPSJCRXJIIA-UHFFFAOYSA-N
MW112.09 g/mol
LogP0.44
Rot. Bonds1

About 1-azidoazetidin-2-one

1-azidoazetidin-2-one (PubChem CID 70471446) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 1-azidoazetidin-2-one.

Molecular Properties

Compound Name1-azidoazetidin-2-one
PubChem CID70471446
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name1-azidoazetidin-2-one
SMILES[N-]=[N+]=NN1CCC1=O
InChIInChI=1S/C3H4N4O/c4-5-6-7-2-1-3(7)8/h1-2H2
InChIKeyUIDAPSJCRXJIIA-UHFFFAOYSA-N
XLogP0.44
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-azidoazetidin-2-one?
The IUPAC name of 1-azidoazetidin-2-one (CID 70471446) is 1-azidoazetidin-2-one.
What is the SMILES notation for 1-azidoazetidin-2-one?
The canonical SMILES for 1-azidoazetidin-2-one is [N-]=[N+]=NN1CCC1=O.
What is the InChIKey of 1-azidoazetidin-2-one?
The InChIKey is UIDAPSJCRXJIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c4-5-6-7-2-1-3(7)8/h1-2H2.
What are the key properties of 1-azidoazetidin-2-one?
1-azidoazetidin-2-one has a molecular weight of 112.09 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoazetidin-2-one is sourced from PubChem (CID 70471446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).