3-Tert-butyl-1-methylimidazolidine-2,4-dione

C8H14N2O2 — CID 16093104

IUPAC3-tert-butyl-1-methylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CN(C1=O)C
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-6(11)5-9(4)7(10)12/h5H2,1-4H3
InChIKeyQFGQZTGOEHUXLV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.30
Rot. Bonds1

About 3-Tert-butyl-1-methylimidazolidine-2,4-dione

3-Tert-butyl-1-methylimidazolidine-2,4-dione (PubChem CID 16093104) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-tert-butyl-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-Tert-butyl-1-methylimidazolidine-2,4-dione
PubChem CID16093104
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-tert-butyl-1-methylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)CN(C1=O)C
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-6(11)5-9(4)7(10)12/h5H2,1-4H3
InChIKeyQFGQZTGOEHUXLV-UHFFFAOYSA-N
XLogP0.30
TPSA40.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity230

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.30
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-Tert-butyl-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-Tert-butyl-1-methylimidazolidine-2,4-dione (CID 16093104) is 3-tert-butyl-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-Tert-butyl-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-Tert-butyl-1-methylimidazolidine-2,4-dione is CC(C)(C)N1C(=O)CN(C1=O)C.
What is the InChIKey of 3-Tert-butyl-1-methylimidazolidine-2,4-dione?
The InChIKey is QFGQZTGOEHUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)10-6(11)5-9(4)7(10)12/h5H2,1-4H3.
What are the key properties of 3-Tert-butyl-1-methylimidazolidine-2,4-dione?
3-Tert-butyl-1-methylimidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Tert-butyl-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 16093104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).