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

C10H14N2O3 — CID 43153904

IUPAC1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione
SMILESCC1CCC(N2C(=O)NC(=O)C2=O)CC1
InChIInChI=1S/C10H14N2O3/c1-6-2-4-7(5-3-6)12-9(14)8(13)11-10(12)15/h6-7H,2-5H2,1H3,(H,11,13,15)
InChIKeyAISBCKZPTIRVCY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.64
Rot. Bonds1

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

1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione (PubChem CID 43153904) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione
PubChem CID43153904
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione
SMILESCC1CCC(N2C(=O)NC(=O)C2=O)CC1
InChIInChI=1S/C10H14N2O3/c1-6-2-4-7(5-3-6)12-9(14)8(13)11-10(12)15/h6-7H,2-5H2,1H3,(H,11,13,15)
InChIKeyAISBCKZPTIRVCY-UHFFFAOYSA-N
XLogP0.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.64
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-(4-methylcyclohexyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione (CID 43153904) is 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione is CC1CCC(N2C(=O)NC(=O)C2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione?
The InChIKey is AISBCKZPTIRVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-2-4-7(5-3-6)12-9(14)8(13)11-10(12)15/h6-7H,2-5H2,1H3,(H,11,13,15).
What are the key properties of 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione?
1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione has a molecular weight of 210.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43153904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).