1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione

C9H14N2O3 — CID 551047

IUPAC1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione
SMILESCC(C)CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)4-5-11-8(13)7(12)10(3)9(11)14/h6H,4-5H2,1-3H3
InChIKeyJFKNPRNYEXDPOJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds3

About 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione

1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione (PubChem CID 551047) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione
PubChem CID551047
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione
SMILESCC(C)CCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-6(2)4-5-11-8(13)7(12)10(3)9(11)14/h6H,4-5H2,1-3H3
InChIKeyJFKNPRNYEXDPOJ-UHFFFAOYSA-N
XLogP0.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione (CID 551047) is 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione is CC(C)CCN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione?
The InChIKey is JFKNPRNYEXDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)4-5-11-8(13)7(12)10(3)9(11)14/h6H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione?
1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione has a molecular weight of 198.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 551047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).