5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one

C14H13NO2 — CID 57386244

IUPAC5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESC=CC1CN(CC#Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H13NO2/c1-2-13-11-15(14(16)17-13)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,10-11H2
InChIKeyXUQBRGAIRNPMAY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.04
Rot. Bonds2

About 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one

5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one (PubChem CID 57386244) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one
PubChem CID57386244
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESC=CC1CN(CC#Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H13NO2/c1-2-13-11-15(14(16)17-13)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,10-11H2
InChIKeyXUQBRGAIRNPMAY-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one (CID 57386244) is 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one is C=CC1CN(CC#Cc2ccccc2)C(=O)O1.
What is the InChIKey of 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one?
The InChIKey is XUQBRGAIRNPMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-13-11-15(14(16)17-13)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,10-11H2.
What are the key properties of 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one?
5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(3-phenylprop-2-ynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).