1-(1-adamantyl)imidazolidine-2,4,5-trione

C13H16N2O3 — CID 2466739

IUPAC1-(1-adamantyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C13H16N2O3/c16-10-11(17)15(12(18)14-10)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,14,16,18)
InChIKeyHSAMZIXLIWFURG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.03
Rot. Bonds1

About 1-(1-adamantyl)imidazolidine-2,4,5-trione

1-(1-adamantyl)imidazolidine-2,4,5-trione (PubChem CID 2466739) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(1-adamantyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1-adamantyl)imidazolidine-2,4,5-trione
PubChem CID2466739
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(1-adamantyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C13H16N2O3/c16-10-11(17)15(12(18)14-10)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,14,16,18)
InChIKeyHSAMZIXLIWFURG-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(1-adamantyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1-adamantyl)imidazolidine-2,4,5-trione (CID 2466739) is 1-(1-adamantyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1-adamantyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1-adamantyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of 1-(1-adamantyl)imidazolidine-2,4,5-trione?
The InChIKey is HSAMZIXLIWFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-10-11(17)15(12(18)14-10)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,14,16,18).
What are the key properties of 1-(1-adamantyl)imidazolidine-2,4,5-trione?
1-(1-adamantyl)imidazolidine-2,4,5-trione has a molecular weight of 248.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2466739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).