(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one

C9H10N2O4 — CID 131484948

IUPAC(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(O)c(O)c2O)N1
InChIInChI=1S/C9H10N2O4/c12-6-2-1-4(7(13)8(6)14)5-3-10-9(15)11-5/h1-2,5,12-14H,3H2,(H2,10,11,15)/t5-/m0/s1
InChIKeyYUANXUOMBQGIJF-YFKPBYRVSA-N
MW210.19 g/mol
LogP0.16
Rot. Bonds1

About (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one

(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one (PubChem CID 131484948) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
PubChem CID131484948
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(O)c(O)c2O)N1
InChIInChI=1S/C9H10N2O4/c12-6-2-1-4(7(13)8(6)14)5-3-10-9(15)11-5/h1-2,5,12-14H,3H2,(H2,10,11,15)/t5-/m0/s1
InChIKeyYUANXUOMBQGIJF-YFKPBYRVSA-N
XLogP0.16
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one (CID 131484948) is (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one is O=C1NC[C@@H](c2ccc(O)c(O)c2O)N1.
What is the InChIKey of (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one?
The InChIKey is YUANXUOMBQGIJF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-6-2-1-4(7(13)8(6)14)5-3-10-9(15)11-5/h1-2,5,12-14H,3H2,(H2,10,11,15)/t5-/m0/s1.
What are the key properties of (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one?
(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one has a molecular weight of 210.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 131484948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).