1-(1-adamantyl)imidazolidine-2,4-dione

C13H18N2O2 — CID 79777060

IUPAC1-(1-adamantyl)imidazolidine-2,4-dione
SMILESO=C1CN(C23CC4CC(CC(C4)C2)C3)C(=O)N1
InChIInChI=1S/C13H18N2O2/c16-11-7-15(12(17)14-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,14,16,17)
InChIKeyFNXPWXNUTWILSQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds1

About 1-(1-adamantyl)imidazolidine-2,4-dione

1-(1-adamantyl)imidazolidine-2,4-dione (PubChem CID 79777060) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-adamantyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-adamantyl)imidazolidine-2,4-dione
PubChem CID79777060
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(1-adamantyl)imidazolidine-2,4-dione
SMILESO=C1CN(C23CC4CC(CC(C4)C2)C3)C(=O)N1
InChIInChI=1S/C13H18N2O2/c16-11-7-15(12(17)14-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,14,16,17)
InChIKeyFNXPWXNUTWILSQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dione?
The IUPAC name of 1-(1-adamantyl)imidazolidine-2,4-dione (CID 79777060) is 1-(1-adamantyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-adamantyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-adamantyl)imidazolidine-2,4-dione is O=C1CN(C23CC4CC(CC(C4)C2)C3)C(=O)N1.
What is the InChIKey of 1-(1-adamantyl)imidazolidine-2,4-dione?
The InChIKey is FNXPWXNUTWILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-7-15(12(17)14-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,14,16,17).
What are the key properties of 1-(1-adamantyl)imidazolidine-2,4-dione?
1-(1-adamantyl)imidazolidine-2,4-dione has a molecular weight of 234.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79777060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).