2-methylimidazolidine-4,5-dione

C4H6N2O2 — CID 71344016

IUPAC2-methylimidazolidine-4,5-dione
SMILESCC1NC(=O)C(=O)N1
InChIInChI=1S/C4H6N2O2/c1-2-5-3(7)4(8)6-2/h2H,1H3,(H,5,7)(H,6,8)
InChIKeyCTXKQFVHRPPQIO-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.42
Rot. Bonds

About 2-methylimidazolidine-4,5-dione

2-methylimidazolidine-4,5-dione (PubChem CID 71344016) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-methylimidazolidine-4,5-dione.

Molecular Properties

Compound Name2-methylimidazolidine-4,5-dione
PubChem CID71344016
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-methylimidazolidine-4,5-dione
SMILESCC1NC(=O)C(=O)N1
InChIInChI=1S/C4H6N2O2/c1-2-5-3(7)4(8)6-2/h2H,1H3,(H,5,7)(H,6,8)
InChIKeyCTXKQFVHRPPQIO-UHFFFAOYSA-N
XLogP-1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazolidine-4,5-dione?
The IUPAC name of 2-methylimidazolidine-4,5-dione (CID 71344016) is 2-methylimidazolidine-4,5-dione.
What is the SMILES notation for 2-methylimidazolidine-4,5-dione?
The canonical SMILES for 2-methylimidazolidine-4,5-dione is CC1NC(=O)C(=O)N1.
What is the InChIKey of 2-methylimidazolidine-4,5-dione?
The InChIKey is CTXKQFVHRPPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-5-3(7)4(8)6-2/h2H,1H3,(H,5,7)(H,6,8).
What are the key properties of 2-methylimidazolidine-4,5-dione?
2-methylimidazolidine-4,5-dione has a molecular weight of 114.10 g/mol, XLogP of -1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazolidine-4,5-dione is sourced from PubChem (CID 71344016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).