1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione

C13H14N2O4 — CID 79777063

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)C(=O)N1
InChIInChI=1S/C13H14N2O4/c16-12-8-15(13(17)14-12)4-3-9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7H,3-6,8H2,(H,14,16,17)
InChIKeyQYXPSOQJCIUEGL-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.55
Rot. Bonds3

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 79777063) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
PubChem CID79777063
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)C(=O)N1
InChIInChI=1S/C13H14N2O4/c16-12-8-15(13(17)14-12)4-3-9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7H,3-6,8H2,(H,14,16,17)
InChIKeyQYXPSOQJCIUEGL-UHFFFAOYSA-N
XLogP0.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
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 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione (CID 79777063) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione is O=C1CN(CCc2ccc3c(c2)OCCO3)C(=O)N1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is QYXPSOQJCIUEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12-8-15(13(17)14-12)4-3-9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7H,3-6,8H2,(H,14,16,17).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79777063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).