(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

C15H16N2O4 — CID 881554

IUPAC(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1O
InChIInChI=1S/C15H16N2O4/c1-3-5-10-6-9(8-12(13(10)18)21-4-2)7-11-14(19)17-15(20)16-11/h3,6-8,18H,1,4-5H2,2H3,(H2,16,17,19,20)/b11-7+
InChIKeyJRDHRKMHYCEFHH-YRNVUSSQSA-N
MW288.30 g/mol
LogP1.70
Rot. Bonds5

About (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 881554) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID881554
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1O
InChIInChI=1S/C15H16N2O4/c1-3-5-10-6-9(8-12(13(10)18)21-4-2)7-11-14(19)17-15(20)16-11/h3,6-8,18H,1,4-5H2,2H3,(H2,16,17,19,20)/b11-7+
InChIKeyJRDHRKMHYCEFHH-YRNVUSSQSA-N
XLogP1.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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 (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (CID 881554) is (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1O.
What is the InChIKey of (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is JRDHRKMHYCEFHH-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-5-10-6-9(8-12(13(10)18)21-4-2)7-11-14(19)17-15(20)16-11/h3,6-8,18H,1,4-5H2,2H3,(H2,16,17,19,20)/b11-7+.
What are the key properties of (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 881554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).