1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione

C9H10N2O5 — CID 22592723

IUPAC1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C9H10N2O5/c12-7-8(13)11(2-6-4-16-6)9(14)10(7)1-5-3-15-5/h5-6H,1-4H2
InChIKeyYSLXMWUOWVNMCQ-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.43
Rot. Bonds4

About 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione

1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 22592723) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID22592723
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C9H10N2O5/c12-7-8(13)11(2-6-4-16-6)9(14)10(7)1-5-3-15-5/h5-6H,1-4H2
InChIKeyYSLXMWUOWVNMCQ-UHFFFAOYSA-N
XLogP-1.43
TPSA82.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione (CID 22592723) is 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(CC2CO2)C(=O)N1CC1CO1.
What is the InChIKey of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is YSLXMWUOWVNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-7-8(13)11(2-6-4-16-6)9(14)10(7)1-5-3-15-5/h5-6H,1-4H2.
What are the key properties of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione?
1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 226.19 g/mol, XLogP of -1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 22592723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).