2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one

C13H15NO2 — CID 6083100

IUPAC2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one
SMILESCC1(C)NC(=O)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H15NO2/c1-13(2)14-12(15)11(16-13)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,15)/b9-8+
InChIKeyVEZXEOWXHFHYHC-CMDGGOBGSA-N
MW217.27 g/mol
LogP1.95
Rot. Bonds2

About 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one

2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one (PubChem CID 6083100) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one
PubChem CID6083100
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one
SMILESCC1(C)NC(=O)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C13H15NO2/c1-13(2)14-12(15)11(16-13)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,15)/b9-8+
InChIKeyVEZXEOWXHFHYHC-CMDGGOBGSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one (CID 6083100) is 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one is CC1(C)NC(=O)C(/C=C/c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one?
The InChIKey is VEZXEOWXHFHYHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)14-12(15)11(16-13)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,15)/b9-8+.
What are the key properties of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one?
2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 6083100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).