5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C13H11NO4 — CID 70296281

IUPAC5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESC=CCc1cccc(C=C2OC(=O)NC2=O)c1O
InChIInChI=1S/C13H11NO4/c1-2-4-8-5-3-6-9(11(8)15)7-10-12(16)14-13(17)18-10/h2-3,5-7,15H,1,4H2,(H,14,16,17)
InChIKeyXYFBLTSOYFMBEN-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.73
Rot. Bonds3

About 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione

5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 70296281) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID70296281
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESC=CCc1cccc(C=C2OC(=O)NC2=O)c1O
InChIInChI=1S/C13H11NO4/c1-2-4-8-5-3-6-9(11(8)15)7-10-12(16)14-13(17)18-10/h2-3,5-7,15H,1,4H2,(H,14,16,17)
InChIKeyXYFBLTSOYFMBEN-UHFFFAOYSA-N
XLogP1.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 70296281) is 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is C=CCc1cccc(C=C2OC(=O)NC2=O)c1O.
What is the InChIKey of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is XYFBLTSOYFMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-2-4-8-5-3-6-9(11(8)15)7-10-12(16)14-13(17)18-10/h2-3,5-7,15H,1,4H2,(H,14,16,17).
What are the key properties of 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 245.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70296281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).