2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide

C6H6N4O3 — CID 130678382

IUPAC2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESN#CCC(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C6H6N4O3/c7-2-1-4(11)9-10-3-5(12)8-6(10)13/h1,3H2,(H,9,11)(H,8,12,13)
InChIKeyLCRLBGRZDGEBDG-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.52
Rot. Bonds2

About 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide

2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 130678382) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide
PubChem CID130678382
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESN#CCC(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C6H6N4O3/c7-2-1-4(11)9-10-3-5(12)8-6(10)13/h1,3H2,(H,9,11)(H,8,12,13)
InChIKeyLCRLBGRZDGEBDG-UHFFFAOYSA-N
XLogP-1.52
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide (CID 130678382) is 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide is N#CCC(=O)NN1CC(=O)NC1=O.
What is the InChIKey of 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is LCRLBGRZDGEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c7-2-1-4(11)9-10-3-5(12)8-6(10)13/h1,3H2,(H,9,11)(H,8,12,13).
What are the key properties of 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide?
2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 182.14 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 130678382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).