5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione

C11H10N2O4 — CID 2829817

IUPAC5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(14)12-10(15)13-11)6-2-3-7-8(4-6)17-5-16-7/h2-4H,5H2,1H3,(H2,12,13,14,15)
InChIKeyPTBOGUDVMYIZLL-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.47
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 2829817) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione
PubChem CID2829817
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(14)12-10(15)13-11)6-2-3-7-8(4-6)17-5-16-7/h2-4H,5H2,1H3,(H2,12,13,14,15)
InChIKeyPTBOGUDVMYIZLL-UHFFFAOYSA-N
XLogP0.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione (CID 2829817) is 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCO3)NC(=O)NC1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PTBOGUDVMYIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(9(14)12-10(15)13-11)6-2-3-7-8(4-6)17-5-16-7/h2-4H,5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 234.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2829817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).