5-methylideneimidazolidine-2,4-dione

C4H4N2O2 — CID 574313

IUPAC5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)NC1=O
InChIInChI=1S/C4H4N2O2/c1-2-3(7)6-4(8)5-2/h1H2,(H2,5,6,7,8)
InChIKeyUJIBFPBOBFXMKO-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.66
Rot. Bonds

About 5-methylideneimidazolidine-2,4-dione

5-methylideneimidazolidine-2,4-dione (PubChem CID 574313) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methylideneimidazolidine-2,4-dione
PubChem CID574313
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)NC1=O
InChIInChI=1S/C4H4N2O2/c1-2-3(7)6-4(8)5-2/h1H2,(H2,5,6,7,8)
InChIKeyUJIBFPBOBFXMKO-UHFFFAOYSA-N
XLogP-0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 5-methylideneimidazolidine-2,4-dione (CID 574313) is 5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 5-methylideneimidazolidine-2,4-dione is C=C1NC(=O)NC1=O.
What is the InChIKey of 5-methylideneimidazolidine-2,4-dione?
The InChIKey is UJIBFPBOBFXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c1-2-3(7)6-4(8)5-2/h1H2,(H2,5,6,7,8).
What are the key properties of 5-methylideneimidazolidine-2,4-dione?
5-methylideneimidazolidine-2,4-dione has a molecular weight of 112.09 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 574313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).