3-(2,5-dioxoimidazolidin-4-yl)propylurea

C7H12N4O3 — CID 14825233

IUPAC3-(2,5-dioxoimidazolidin-4-yl)propylurea
SMILESNC(=O)NCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c8-6(13)9-3-1-2-4-5(12)11-7(14)10-4/h4H,1-3H2,(H3,8,9,13)(H2,10,11,12,14)
InChIKeySTSIQXWDSLMUDW-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.36
Rot. Bonds4

About 3-(2,5-dioxoimidazolidin-4-yl)propylurea

3-(2,5-dioxoimidazolidin-4-yl)propylurea (PubChem CID 14825233) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)propylurea.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)propylurea
PubChem CID14825233
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)propylurea
SMILESNC(=O)NCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c8-6(13)9-3-1-2-4-5(12)11-7(14)10-4/h4H,1-3H2,(H3,8,9,13)(H2,10,11,12,14)
InChIKeySTSIQXWDSLMUDW-UHFFFAOYSA-N
XLogP-1.36
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)propylurea?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)propylurea (CID 14825233) is 3-(2,5-dioxoimidazolidin-4-yl)propylurea.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)propylurea?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)propylurea is NC(=O)NCCCC1NC(=O)NC1=O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)propylurea?
The InChIKey is STSIQXWDSLMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-6(13)9-3-1-2-4-5(12)11-7(14)10-4/h4H,1-3H2,(H3,8,9,13)(H2,10,11,12,14).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)propylurea?
3-(2,5-dioxoimidazolidin-4-yl)propylurea has a molecular weight of 200.20 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)propylurea is sourced from PubChem (CID 14825233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).