5-(1-adamantyl)-5-methylimidazolidine-2,4-dione

C14H20N2O2 — CID 16792780

IUPAC5-(1-adamantyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C23CC4CC(CC(C4)C2)C3)NC(=O)NC1=O
InChIInChI=1S/C14H20N2O2/c1-13(11(17)15-12(18)16-13)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyALWXAUOGFGNWJT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds1

About 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione

5-(1-adamantyl)-5-methylimidazolidine-2,4-dione (PubChem CID 16792780) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-adamantyl)-5-methylimidazolidine-2,4-dione
PubChem CID16792780
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(1-adamantyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C23CC4CC(CC(C4)C2)C3)NC(=O)NC1=O
InChIInChI=1S/C14H20N2O2/c1-13(11(17)15-12(18)16-13)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyALWXAUOGFGNWJT-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
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 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione (CID 16792780) is 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione is CC1(C23CC4CC(CC(C4)C2)C3)NC(=O)NC1=O.
What is the InChIKey of 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ALWXAUOGFGNWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(11(17)15-12(18)16-13)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione?
5-(1-adamantyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 16792780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).