5-(oxan-4-yl)imidazolidine-2,4-dione

C8H12N2O3 — CID 11521195

IUPAC5-(oxan-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCOCC2)N1
InChIInChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)5-1-3-13-4-2-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyQUFBWRGVZOGODN-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.38
Rot. Bonds1

About 5-(oxan-4-yl)imidazolidine-2,4-dione

5-(oxan-4-yl)imidazolidine-2,4-dione (PubChem CID 11521195) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-(oxan-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(oxan-4-yl)imidazolidine-2,4-dione
PubChem CID11521195
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-(oxan-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCOCC2)N1
InChIInChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)5-1-3-13-4-2-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyQUFBWRGVZOGODN-UHFFFAOYSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(oxan-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(oxan-4-yl)imidazolidine-2,4-dione (CID 11521195) is 5-(oxan-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(oxan-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(oxan-4-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(C2CCOCC2)N1.
What is the InChIKey of 5-(oxan-4-yl)imidazolidine-2,4-dione?
The InChIKey is QUFBWRGVZOGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)5-1-3-13-4-2-5/h5-6H,1-4H2,(H2,9,10,11,12).
What are the key properties of 5-(oxan-4-yl)imidazolidine-2,4-dione?
5-(oxan-4-yl)imidazolidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 11521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).