1-oxido-4-prop-2-enylazetidin-2-one

C6H8NO2- — CID 88721665

IUPAC1-oxido-4-prop-2-enylazetidin-2-one
SMILESC=CCC1CC(=O)N1[O-]
InChIInChI=1S/C6H8NO2/c1-2-3-5-4-6(8)7(5)9/h2,5H,1,3-4H2/q-1
InChIKeyRYDUTRJYSISJDZ-UHFFFAOYSA-N
MW126.14 g/mol
LogP0.66
Rot. Bonds2

About 1-oxido-4-prop-2-enylazetidin-2-one

1-oxido-4-prop-2-enylazetidin-2-one (PubChem CID 88721665) has the molecular formula C6H8NO2- and a molecular weight of 126.14 g/mol. Its IUPAC name is 1-oxido-4-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name1-oxido-4-prop-2-enylazetidin-2-one
PubChem CID88721665
Molecular FormulaC6H8NO2-
Molecular Weight126.14 g/mol
Exact Mass126.06
IUPAC Name1-oxido-4-prop-2-enylazetidin-2-one
SMILESC=CCC1CC(=O)N1[O-]
InChIInChI=1S/C6H8NO2/c1-2-3-5-4-6(8)7(5)9/h2,5H,1,3-4H2/q-1
InChIKeyRYDUTRJYSISJDZ-UHFFFAOYSA-N
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-prop-2-enyl-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
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1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride
CID 163337678
4-ethenyl-1-ethylazetidin-2-one
CID 150972777
1-oxido-4-prop-2-enylazetidin-1-ium-2-one
CID 88721664
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Frequently Asked Questions

What is the IUPAC name of 1-oxido-4-prop-2-enylazetidin-2-one?
The IUPAC name of 1-oxido-4-prop-2-enylazetidin-2-one (CID 88721665) is 1-oxido-4-prop-2-enylazetidin-2-one.
What is the SMILES notation for 1-oxido-4-prop-2-enylazetidin-2-one?
The canonical SMILES for 1-oxido-4-prop-2-enylazetidin-2-one is C=CCC1CC(=O)N1[O-].
What is the InChIKey of 1-oxido-4-prop-2-enylazetidin-2-one?
The InChIKey is RYDUTRJYSISJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2/c1-2-3-5-4-6(8)7(5)9/h2,5H,1,3-4H2/q-1.
What are the key properties of 1-oxido-4-prop-2-enylazetidin-2-one?
1-oxido-4-prop-2-enylazetidin-2-one has a molecular weight of 126.14 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-4-prop-2-enylazetidin-2-one is sourced from PubChem (CID 88721665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).