4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one

C8H13NO3 — CID 139668969

IUPAC4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)OCC1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-3-6(2)11-4-7-5-12-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyDFYKCFAVQCYGFL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.69
Rot. Bonds4

About 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one

4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 139668969) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID139668969
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)OCC1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-3-6(2)11-4-7-5-12-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyDFYKCFAVQCYGFL-UHFFFAOYSA-N
XLogP0.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one (CID 139668969) is 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one is C=CC(C)OCC1COC(=O)N1.
What is the InChIKey of 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DFYKCFAVQCYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6(2)11-4-7-5-12-8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one?
4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).