1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione

C12H12N2O3 — CID 70522072

IUPAC1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCC1C(=O)NC(=O)N1c1cccc(O)c1
InChIInChI=1S/C12H12N2O3/c1-2-4-10-11(16)13-12(17)14(10)8-5-3-6-9(15)7-8/h2-3,5-7,10,15H,1,4H2,(H,13,16,17)
InChIKeySEWGBYSPJLUPHH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds3

About 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione

1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione (PubChem CID 70522072) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione
PubChem CID70522072
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCC1C(=O)NC(=O)N1c1cccc(O)c1
InChIInChI=1S/C12H12N2O3/c1-2-4-10-11(16)13-12(17)14(10)8-5-3-6-9(15)7-8/h2-3,5-7,10,15H,1,4H2,(H,13,16,17)
InChIKeySEWGBYSPJLUPHH-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione (CID 70522072) is 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione is C=CCC1C(=O)NC(=O)N1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is SEWGBYSPJLUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-4-10-11(16)13-12(17)14(10)8-5-3-6-9(15)7-8/h2-3,5-7,10,15H,1,4H2,(H,13,16,17).
What are the key properties of 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione?
1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 70522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).