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

C9H12N2O4 — CID 21297092

IUPAC1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C9H12N2O4/c12-8-3-10(1-6-4-14-6)9(13)11(8)2-7-5-15-7/h6-7H,1-5H2
InChIKeyCGACJVBTDXJSDR-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.95
Rot. Bonds4

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

1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 21297092) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID21297092
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC2CO2)C(=O)N1CC1CO1
InChIInChI=1S/C9H12N2O4/c12-8-3-10(1-6-4-14-6)9(13)11(8)2-7-5-15-7/h6-7H,1-5H2
InChIKeyCGACJVBTDXJSDR-UHFFFAOYSA-N
XLogP-0.95
TPSA65.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-dione?
The IUPAC name of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione (CID 21297092) is 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione is O=C1CN(CC2CO2)C(=O)N1CC1CO1.
What is the InChIKey of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is CGACJVBTDXJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-8-3-10(1-6-4-14-6)9(13)11(8)2-7-5-15-7/h6-7H,1-5H2.
What are the key properties of 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 212.20 g/mol, XLogP of -0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 21297092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).