4-(ethoxymethylidene)-1,3-oxazolidin-2-one

C6H9NO3 — CID 70585277

IUPAC4-(ethoxymethylidene)-1,3-oxazolidin-2-one
SMILESCCOC=C1COC(=O)N1
InChIInChI=1S/C6H9NO3/c1-2-9-3-5-4-10-6(8)7-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyOLPXSYCVYLRMNF-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.60
Rot. Bonds2

About 4-(ethoxymethylidene)-1,3-oxazolidin-2-one

4-(ethoxymethylidene)-1,3-oxazolidin-2-one (PubChem CID 70585277) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-(ethoxymethylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(ethoxymethylidene)-1,3-oxazolidin-2-one
PubChem CID70585277
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-(ethoxymethylidene)-1,3-oxazolidin-2-one
SMILESCCOC=C1COC(=O)N1
InChIInChI=1S/C6H9NO3/c1-2-9-3-5-4-10-6(8)7-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyOLPXSYCVYLRMNF-UHFFFAOYSA-N
XLogP0.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
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 4-(ethoxymethylidene)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(ethoxymethylidene)-1,3-oxazolidin-2-one (CID 70585277) is 4-(ethoxymethylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(ethoxymethylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(ethoxymethylidene)-1,3-oxazolidin-2-one is CCOC=C1COC(=O)N1.
What is the InChIKey of 4-(ethoxymethylidene)-1,3-oxazolidin-2-one?
The InChIKey is OLPXSYCVYLRMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-9-3-5-4-10-6(8)7-5/h3H,2,4H2,1H3,(H,7,8).
What are the key properties of 4-(ethoxymethylidene)-1,3-oxazolidin-2-one?
4-(ethoxymethylidene)-1,3-oxazolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70585277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).