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

C7H10N2O3 — CID 2398144

IUPAC1-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H10N2O3/c1-4(2)3-9-6(11)5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
InChIKeyIPVNATUOTSZSAT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.28
Rot. Bonds2

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

1-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 2398144) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID2398144
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H10N2O3/c1-4(2)3-9-6(11)5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
InChIKeyIPVNATUOTSZSAT-UHFFFAOYSA-N
XLogP-0.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.28
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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Related Compounds

1-Methylhydantoin
CID 69217
3-(Propan-2-yl)imidazolidine-2,4-dione
CID 568085
1-Ethylimidazolidine-2,4,5-trione
CID 3301639
1,5,5-Trimethylimidazolidine-2,4-dione
CID 81295
2,4-Imidazolidinedione, 3-methyl-
CID 138851
3,5,5-Trimethylimidazolidine-2,4-dione
CID 237560
1-Propylimidazolidine-2,4,5-trione
CID 181667
3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
3-Ethylimidazolidine-2,4-dione
CID 13258388
3,6,8-Trimethylallantoin
CID 181740
3-Butylimidazolidine-2,4-dione
CID 568235
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 2398144) is 1-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is IPVNATUOTSZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(2)3-9-6(11)5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12).
What are the key properties of 1-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 170.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2398144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).