3-methyl-5-propan-2-ylimidazolidine-2,4-dione

C7H12N2O2 — CID 53425842

IUPAC3-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11)
InChIKeyLMBVKYNWQBSNIR-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.19
Rot. Bonds1

About 3-methyl-5-propan-2-ylimidazolidine-2,4-dione

3-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 53425842) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID53425842
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11)
InChIKeyLMBVKYNWQBSNIR-UHFFFAOYSA-N
XLogP0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.19
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-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 53425842) is 3-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is LMBVKYNWQBSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11).
What are the key properties of 3-methyl-5-propan-2-ylimidazolidine-2,4-dione?
3-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 53425842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).