(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one

C5H7NO4 — CID 89060073

IUPAC(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one
SMILESCOO/C=C1\COC(=O)N1
InChIInChI=1S/C5H7NO4/c1-8-10-3-4-2-9-5(7)6-4/h3H,2H2,1H3,(H,6,7)/b4-3+
InChIKeyZGPIUXQHPARTSD-ONEGZZNKSA-N
MW145.11 g/mol
LogP0.15
Rot. Bonds2

About (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one

(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one (PubChem CID 89060073) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one
PubChem CID89060073
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one
SMILESCOO/C=C1\COC(=O)N1
InChIInChI=1S/C5H7NO4/c1-8-10-3-4-2-9-5(7)6-4/h3H,2H2,1H3,(H,6,7)/b4-3+
InChIKeyZGPIUXQHPARTSD-ONEGZZNKSA-N
XLogP0.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one (CID 89060073) is (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one is COO/C=C1\COC(=O)N1.
What is the InChIKey of (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one?
The InChIKey is ZGPIUXQHPARTSD-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7NO4/c1-8-10-3-4-2-9-5(7)6-4/h3H,2H2,1H3,(H,6,7)/b4-3+.
What are the key properties of (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one?
(4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one has a molecular weight of 145.11 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methylperoxymethylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 89060073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).