3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one

C11H10BrNO2 — CID 134893935

IUPAC3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C(/Br)c1ccccc1
InChIInChI=1S/C11H10BrNO2/c12-10(9-4-2-1-3-5-9)8-13-6-7-15-11(13)14/h1-5,8H,6-7H2/b10-8+
InChIKeySTNQUYFGLUJYPY-CSKARUKUSA-N
MW268.11 g/mol
LogP2.83
Rot. Bonds2

About 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one

3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 134893935) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID134893935
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C(/Br)c1ccccc1
InChIInChI=1S/C11H10BrNO2/c12-10(9-4-2-1-3-5-9)8-13-6-7-15-11(13)14/h1-5,8H,6-7H2/b10-8+
InChIKeySTNQUYFGLUJYPY-CSKARUKUSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 134893935) is 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C=C(/Br)c1ccccc1.
What is the InChIKey of 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is STNQUYFGLUJYPY-CSKARUKUSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-10(9-4-2-1-3-5-9)8-13-6-7-15-11(13)14/h1-5,8H,6-7H2/b10-8+.
What are the key properties of 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 268.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134893935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).