4-but-1-enyl-1,3-oxazolidin-2-one

C7H11NO2 — CID 71428103

IUPAC4-but-1-enyl-1,3-oxazolidin-2-one
SMILESCCC=CC1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-3-4-6-5-10-7(9)8-6/h3-4,6H,2,5H2,1H3,(H,8,9)
InChIKeyOATSGBKJUGFTBP-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds2

About 4-but-1-enyl-1,3-oxazolidin-2-one

4-but-1-enyl-1,3-oxazolidin-2-one (PubChem CID 71428103) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-but-1-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-but-1-enyl-1,3-oxazolidin-2-one
PubChem CID71428103
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-but-1-enyl-1,3-oxazolidin-2-one
SMILESCCC=CC1COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-2-3-4-6-5-10-7(9)8-6/h3-4,6H,2,5H2,1H3,(H,8,9)
InChIKeyOATSGBKJUGFTBP-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-but-1-enyl-1,3-oxazolidin-2-one (CID 71428103) is 4-but-1-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-but-1-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-but-1-enyl-1,3-oxazolidin-2-one is CCC=CC1COC(=O)N1.
What is the InChIKey of 4-but-1-enyl-1,3-oxazolidin-2-one?
The InChIKey is OATSGBKJUGFTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-6-5-10-7(9)8-6/h3-4,6H,2,5H2,1H3,(H,8,9).
What are the key properties of 4-but-1-enyl-1,3-oxazolidin-2-one?
4-but-1-enyl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71428103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).