1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione

C9H12N2O4 — CID 63712312

IUPAC1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C9H12N2O4/c12-7-8(13)11(9(14)10-7)5-6-1-3-15-4-2-6/h6H,1-5H2,(H,10,12,14)
InChIKeyQIMWPJRSIQRHNO-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.51
Rot. Bonds2

About 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione

1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 63712312) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID63712312
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C9H12N2O4/c12-7-8(13)11(9(14)10-7)5-6-1-3-15-4-2-6/h6H,1-5H2,(H,10,12,14)
InChIKeyQIMWPJRSIQRHNO-UHFFFAOYSA-N
XLogP-0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione (CID 63712312) is 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CC2CCOCC2)C1=O.
What is the InChIKey of 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is QIMWPJRSIQRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-8(13)11(9(14)10-7)5-6-1-3-15-4-2-6/h6H,1-5H2,(H,10,12,14).
What are the key properties of 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione?
1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 212.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 63712312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).