zinc (2,5-dioxoimidazolidin-4-yl)urea

C4H6N4O3Zn+2 — CID 11701347

IUPACzinc (2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O.[Zn+2]
InChIInChI=1S/C4H6N4O3.Zn/c5-3(10)6-1-2(9)8-4(11)7-1;/h1H,(H3,5,6,10)(H2,7,8,9,11);/q;+2
InChIKeyDDWGVVLTKCXOCQ-UHFFFAOYSA-N
MW223.51 g/mol
LogP-2.18
Rot. Bonds1

About zinc (2,5-dioxoimidazolidin-4-yl)urea

zinc (2,5-dioxoimidazolidin-4-yl)urea (PubChem CID 11701347) has the molecular formula C4H6N4O3Zn+2 and a molecular weight of 223.51 g/mol. Its IUPAC name is zinc (2,5-dioxoimidazolidin-4-yl)urea.

Molecular Properties

Compound Namezinc (2,5-dioxoimidazolidin-4-yl)urea
PubChem CID11701347
Molecular FormulaC4H6N4O3Zn+2
Molecular Weight223.51 g/mol
Exact Mass221.97
IUPAC Namezinc (2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O.[Zn+2]
InChIInChI=1S/C4H6N4O3.Zn/c5-3(10)6-1-2(9)8-4(11)7-1;/h1H,(H3,5,6,10)(H2,7,8,9,11);/q;+2
InChIKeyDDWGVVLTKCXOCQ-UHFFFAOYSA-N
XLogP-2.18
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.51
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc (2,5-dioxoimidazolidin-4-yl)urea?
The IUPAC name of zinc (2,5-dioxoimidazolidin-4-yl)urea (CID 11701347) is zinc (2,5-dioxoimidazolidin-4-yl)urea.
What is the SMILES notation for zinc (2,5-dioxoimidazolidin-4-yl)urea?
The canonical SMILES for zinc (2,5-dioxoimidazolidin-4-yl)urea is NC(=O)NC1NC(=O)NC1=O.[Zn+2].
What is the InChIKey of zinc (2,5-dioxoimidazolidin-4-yl)urea?
The InChIKey is DDWGVVLTKCXOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3.Zn/c5-3(10)6-1-2(9)8-4(11)7-1;/h1H,(H3,5,6,10)(H2,7,8,9,11);/q;+2.
What are the key properties of zinc (2,5-dioxoimidazolidin-4-yl)urea?
zinc (2,5-dioxoimidazolidin-4-yl)urea has a molecular weight of 223.51 g/mol, XLogP of -2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (2,5-dioxoimidazolidin-4-yl)urea is sourced from PubChem (CID 11701347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).