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

C5H6N2O2 — CID 20515698

IUPAC3-methyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(C)C1=O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)7(2)5(9)6-3/h1H2,2H3,(H,6,9)
InChIKeyPATDKEVXTHEWLZ-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.32
Rot. Bonds

About 3-methyl-5-methylideneimidazolidine-2,4-dione

3-methyl-5-methylideneimidazolidine-2,4-dione (PubChem CID 20515698) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3-methyl-5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-methylideneimidazolidine-2,4-dione
PubChem CID20515698
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3-methyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(C)C1=O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)7(2)5(9)6-3/h1H2,2H3,(H,6,9)
InChIKeyPATDKEVXTHEWLZ-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 51
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 3-methyl-5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-methylideneimidazolidine-2,4-dione (CID 20515698) is 3-methyl-5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-methylideneimidazolidine-2,4-dione is C=C1NC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-5-methylideneimidazolidine-2,4-dione?
The InChIKey is PATDKEVXTHEWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-4(8)7(2)5(9)6-3/h1H2,2H3,(H,6,9).
What are the key properties of 3-methyl-5-methylideneimidazolidine-2,4-dione?
3-methyl-5-methylideneimidazolidine-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 20515698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).