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

C8H10N2O5 — CID 61024888

IUPAC1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CC2COCCO2)C1=O
InChIInChI=1S/C8H10N2O5/c11-6-7(12)10(8(13)9-6)3-5-4-14-1-2-15-5/h5H,1-4H2,(H,9,11,13)
InChIKeyHYJTTWKSTMEWDO-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.52
Rot. Bonds2

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

1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 61024888) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID61024888
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CC2COCCO2)C1=O
InChIInChI=1S/C8H10N2O5/c11-6-7(12)10(8(13)9-6)3-5-4-14-1-2-15-5/h5H,1-4H2,(H,9,11,13)
InChIKeyHYJTTWKSTMEWDO-UHFFFAOYSA-N
XLogP-1.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione (CID 61024888) is 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CC2COCCO2)C1=O.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is HYJTTWKSTMEWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-6-7(12)10(8(13)9-6)3-5-4-14-1-2-15-5/h5H,1-4H2,(H,9,11,13).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione?
1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 214.18 g/mol, XLogP of -1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 61024888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).