3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one

C7H11NO2 — CID 50941036

IUPAC3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C/N1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyVSJLSKDLVAQGMD-ONEGZZNKSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds2

About 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 50941036) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one
PubChem CID50941036
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C/N1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyVSJLSKDLVAQGMD-ONEGZZNKSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one (CID 50941036) is 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one is CC/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is VSJLSKDLVAQGMD-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h3-4H,2,5-6H2,1H3/b4-3+.
What are the key properties of 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 50941036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).