(3E)-3-hydroxyiminooxolan-2-one

C4H5NO3 — CID 6403198

IUPAC(3E)-3-hydroxyiminooxolan-2-one
SMILESO=C1OCC/C1=N\O
InChIInChI=1S/C4H5NO3/c6-4-3(5-7)1-2-8-4/h7H,1-2H2/b5-3+
InChIKeyZIUSAIUIKKGDOW-HWKANZROSA-N
MW115.09 g/mol
LogP-0.24
Rot. Bonds

About (3E)-3-hydroxyiminooxolan-2-one

(3E)-3-hydroxyiminooxolan-2-one (PubChem CID 6403198) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is (3E)-3-hydroxyiminooxolan-2-one.

Molecular Properties

Compound Name(3E)-3-hydroxyiminooxolan-2-one
PubChem CID6403198
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name(3E)-3-hydroxyiminooxolan-2-one
SMILESO=C1OCC/C1=N\O
InChIInChI=1S/C4H5NO3/c6-4-3(5-7)1-2-8-4/h7H,1-2H2/b5-3+
InChIKeyZIUSAIUIKKGDOW-HWKANZROSA-N
XLogP-0.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydroxyiminooxolan-2-one?
The IUPAC name of (3E)-3-hydroxyiminooxolan-2-one (CID 6403198) is (3E)-3-hydroxyiminooxolan-2-one.
What is the SMILES notation for (3E)-3-hydroxyiminooxolan-2-one?
The canonical SMILES for (3E)-3-hydroxyiminooxolan-2-one is O=C1OCC/C1=N\O.
What is the InChIKey of (3E)-3-hydroxyiminooxolan-2-one?
The InChIKey is ZIUSAIUIKKGDOW-HWKANZROSA-N. The full InChI is InChI=1S/C4H5NO3/c6-4-3(5-7)1-2-8-4/h7H,1-2H2/b5-3+.
What are the key properties of (3E)-3-hydroxyiminooxolan-2-one?
(3E)-3-hydroxyiminooxolan-2-one has a molecular weight of 115.09 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydroxyiminooxolan-2-one is sourced from PubChem (CID 6403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).