1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione

C9H14N2O3 — CID 546469

IUPAC1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C9H14N2O3/c1-9(2,3)5-11-7(13)6(12)10(4)8(11)14/h5H2,1-4H3
InChIKeyXUAQMWAUGSLKFF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione

1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione (PubChem CID 546469) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione
PubChem CID546469
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(C)(C)C)C1=O
InChIInChI=1S/C9H14N2O3/c1-9(2,3)5-11-7(13)6(12)10(4)8(11)14/h5H2,1-4H3
InChIKeyXUAQMWAUGSLKFF-UHFFFAOYSA-N
XLogP0.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
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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Related Compounds

1-Propylimidazolidine-2,4,5-trione
CID 181667
1,3-Dimethylimidazolidine-2,4-dione
CID 123410
1,3-Bis(2-methylprop-2-enyl)-1,3-diazolidine-2,4,5-trione
CID 1908371
1,3,5-Trimethylimidazolidine-2,4-dione
CID 13015854
3-Tert-butyl-1,5,5-trimethylimidazolidine-2,4-dione
CID 12399725
1-(2-Methylpropyl)imidazolidine-2,4,5-trione
CID 2398144
3-Tert-butyl-1-methylimidazolidine-2,4-dione
CID 16093104
1-Propylimidazolidine-2,4-dione
CID 3020624
2-tert-Butyl-3-methylimidazolidin-4-one
CID 10964761
1-Butyl-3-methyl-2,4,5-trioxoimidazolidine
CID 544944
Imidazolidinetrione, bis(1-methylethyl)-
CID 10878121
(R)-2-tert-butyl-3-methylimidazolidin-4-one
CID 11207948

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione (CID 546469) is 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione?
The InChIKey is XUAQMWAUGSLKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,3)5-11-7(13)6(12)10(4)8(11)14/h5H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione?
1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione has a molecular weight of 198.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 546469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).