3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione

C12H18N2O2 — CID 90358564

IUPAC3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(C2CC3CCC2CC3)C1=O
InChIInChI=1S/C12H18N2O2/c1-7-11(15)14(12(16)13-7)10-6-8-2-4-9(10)5-3-8/h7-10H,2-6H2,1H3,(H,13,16)
InChIKeyJNOOITFWAGPJAI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.51
Rot. Bonds1

About 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione

3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione (PubChem CID 90358564) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione
PubChem CID90358564
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(C2CC3CCC2CC3)C1=O
InChIInChI=1S/C12H18N2O2/c1-7-11(15)14(12(16)13-7)10-6-8-2-4-9(10)5-3-8/h7-10H,2-6H2,1H3,(H,13,16)
InChIKeyJNOOITFWAGPJAI-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
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 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione (CID 90358564) is 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(C2CC3CCC2CC3)C1=O.
What is the InChIKey of 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JNOOITFWAGPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-11(15)14(12(16)13-7)10-6-8-2-4-9(10)5-3-8/h7-10H,2-6H2,1H3,(H,13,16).
What are the key properties of 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione?
3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 222.29 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 3-(2-bicyclo[2.2.2]octanyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 90358564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).