N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide

C8H9N3O4 — CID 43568545

IUPACN-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(=O)C1=O)NC1CC1
InChIInChI=1S/C8H9N3O4/c12-5(9-4-1-2-4)3-11-7(14)6(13)10-8(11)15/h4H,1-3H2,(H,9,12)(H,10,13,15)
InChIKeyMUSVEFWSDJDKRE-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.66
Rot. Bonds3

About N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide

N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 43568545) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID43568545
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(=O)C1=O)NC1CC1
InChIInChI=1S/C8H9N3O4/c12-5(9-4-1-2-4)3-11-7(14)6(13)10-8(11)15/h4H,1-3H2,(H,9,12)(H,10,13,15)
InChIKeyMUSVEFWSDJDKRE-UHFFFAOYSA-N
XLogP-1.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 43568545) is N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(=O)C1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is MUSVEFWSDJDKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-5(9-4-1-2-4)3-11-7(14)6(13)10-8(11)15/h4H,1-3H2,(H,9,12)(H,10,13,15).
What are the key properties of N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 43568545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).