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

C4H5NO3 — CID 70426660

IUPAC(4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C/O)CO1
InChIInChI=1S/C4H5NO3/c6-1-3-2-8-4(7)5-3/h1,6H,2H2,(H,5,7)/b3-1+
InChIKeyGMXPUBIMNVRYIN-HNQUOIGGSA-N
MW115.09 g/mol
LogP0.13
Rot. Bonds

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

(4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one (PubChem CID 70426660) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one
PubChem CID70426660
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name(4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C/O)CO1
InChIInChI=1S/C4H5NO3/c6-1-3-2-8-4(7)5-3/h1,6H,2H2,(H,5,7)/b3-1+
InChIKeyGMXPUBIMNVRYIN-HNQUOIGGSA-N
XLogP0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one?
The IUPAC name of (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one (CID 70426660) is (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one is O=C1N/C(=C/O)CO1.
What is the InChIKey of (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one?
The InChIKey is GMXPUBIMNVRYIN-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H5NO3/c6-1-3-2-8-4(7)5-3/h1,6H,2H2,(H,5,7)/b3-1+.
What are the key properties of (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one?
(4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one has a molecular weight of 115.09 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(hydroxymethylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70426660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).