3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione

C8H14N2O2 — CID 67718441

IUPAC3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-6(2)4-10-5-7(11)9(3)8(10)12/h6H,4-5H2,1-3H3
InChIKeyNKEDMPYKGFPIHC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.54
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione

3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 67718441) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID67718441
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-6(2)4-10-5-7(11)9(3)8(10)12/h6H,4-5H2,1-3H3
InChIKeyNKEDMPYKGFPIHC-UHFFFAOYSA-N
XLogP0.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.54
H-Bond Donors ≤ 50
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-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione (CID 67718441) is 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is NKEDMPYKGFPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)4-10-5-7(11)9(3)8(10)12/h6H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 67718441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).