1-methyl-2-methylideneimidazolidine-4,5-dione

C5H6N2O2 — CID 91543094

IUPAC1-methyl-2-methylideneimidazolidine-4,5-dione
SMILESC=C1NC(=O)C(=O)N1C
InChIInChI=1S/C5H6N2O2/c1-3-6-4(8)5(9)7(3)2/h1H2,2H3,(H,6,8)
InChIKeyWAPHBUZYKDHLNU-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.95
Rot. Bonds

About 1-methyl-2-methylideneimidazolidine-4,5-dione

1-methyl-2-methylideneimidazolidine-4,5-dione (PubChem CID 91543094) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1-methyl-2-methylideneimidazolidine-4,5-dione.

Molecular Properties

Compound Name1-methyl-2-methylideneimidazolidine-4,5-dione
PubChem CID91543094
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name1-methyl-2-methylideneimidazolidine-4,5-dione
SMILESC=C1NC(=O)C(=O)N1C
InChIInChI=1S/C5H6N2O2/c1-3-6-4(8)5(9)7(3)2/h1H2,2H3,(H,6,8)
InChIKeyWAPHBUZYKDHLNU-UHFFFAOYSA-N
XLogP-0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
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 1-methyl-2-methylideneimidazolidine-4,5-dione?
The IUPAC name of 1-methyl-2-methylideneimidazolidine-4,5-dione (CID 91543094) is 1-methyl-2-methylideneimidazolidine-4,5-dione.
What is the SMILES notation for 1-methyl-2-methylideneimidazolidine-4,5-dione?
The canonical SMILES for 1-methyl-2-methylideneimidazolidine-4,5-dione is C=C1NC(=O)C(=O)N1C.
What is the InChIKey of 1-methyl-2-methylideneimidazolidine-4,5-dione?
The InChIKey is WAPHBUZYKDHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-6-4(8)5(9)7(3)2/h1H2,2H3,(H,6,8).
What are the key properties of 1-methyl-2-methylideneimidazolidine-4,5-dione?
1-methyl-2-methylideneimidazolidine-4,5-dione has a molecular weight of 126.11 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylideneimidazolidine-4,5-dione is sourced from PubChem (CID 91543094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).