ethenimine;oxetan-2-one

C5H7NO2 — CID 23354889

IUPACethenimine;oxetan-2-one
SMILESC=C=N.O=C1CCO1
InChIInChI=1S/C3H4O2.C2H3N/c4-3-1-2-5-3;1-2-3/h1-2H2;3H,1H2
InChIKeyXFVVUZRZBHLZLH-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.35
Rot. Bonds

About ethenimine;oxetan-2-one

ethenimine;oxetan-2-one (PubChem CID 23354889) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is ethenimine;oxetan-2-one.

Molecular Properties

Compound Nameethenimine;oxetan-2-one
PubChem CID23354889
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Nameethenimine;oxetan-2-one
SMILESC=C=N.O=C1CCO1
InChIInChI=1S/C3H4O2.C2H3N/c4-3-1-2-5-3;1-2-3/h1-2H2;3H,1H2
InChIKeyXFVVUZRZBHLZLH-UHFFFAOYSA-N
XLogP0.35
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenimine;oxetan-2-one?
The IUPAC name of ethenimine;oxetan-2-one (CID 23354889) is ethenimine;oxetan-2-one.
What is the SMILES notation for ethenimine;oxetan-2-one?
The canonical SMILES for ethenimine;oxetan-2-one is C=C=N.O=C1CCO1.
What is the InChIKey of ethenimine;oxetan-2-one?
The InChIKey is XFVVUZRZBHLZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H3N/c4-3-1-2-5-3;1-2-3/h1-2H2;3H,1H2.
What are the key properties of ethenimine;oxetan-2-one?
ethenimine;oxetan-2-one has a molecular weight of 113.12 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenimine;oxetan-2-one is sourced from PubChem (CID 23354889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).