1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione

C8H12N4O4 — CID 71073934

IUPAC1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
SMILESCN1CC(=O)N(C)C1=O.O=C1CNC(=O)N1
InChIInChI=1S/C5H8N2O2.C3H4N2O2/c1-6-3-4(8)7(2)5(6)9;6-2-1-4-3(7)5-2/h3H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeyGHQVUUJDUSGPLX-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.66
Rot. Bonds

About 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione

1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione (PubChem CID 71073934) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
PubChem CID71073934
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
SMILESCN1CC(=O)N(C)C1=O.O=C1CNC(=O)N1
InChIInChI=1S/C5H8N2O2.C3H4N2O2/c1-6-3-4(8)7(2)5(6)9;6-2-1-4-3(7)5-2/h3H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeyGHQVUUJDUSGPLX-UHFFFAOYSA-N
XLogP-1.66
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione (CID 71073934) is 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione is CN1CC(=O)N(C)C1=O.O=C1CNC(=O)N1.
What is the InChIKey of 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione?
The InChIKey is GHQVUUJDUSGPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C3H4N2O2/c1-6-3-4(8)7(2)5(6)9;6-2-1-4-3(7)5-2/h3H2,1-2H3;1H2,(H2,4,5,6,7).
What are the key properties of 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione?
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of -1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione is sourced from PubChem (CID 71073934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).