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

C7H12N2O2 — CID 18669456

IUPAC1-methyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h5H,4H2,1-3H3
InChIKeyIFUCLLDLONIGJB-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.29
Rot. Bonds1

About 1-methyl-3-propan-2-ylimidazolidine-2,4-dione

1-methyl-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 18669456) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID18669456
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-methyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h5H,4H2,1-3H3
InChIKeyIFUCLLDLONIGJB-UHFFFAOYSA-N
XLogP0.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.29
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 1-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-ylimidazolidine-2,4-dione (CID 18669456) is 1-methyl-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is IFUCLLDLONIGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h5H,4H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylimidazolidine-2,4-dione?
1-methyl-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 18669456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).