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

C6H8N2O2 — CID 20515710

IUPAC3-ethyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(CC)C1=O
InChIInChI=1S/C6H8N2O2/c1-3-8-5(9)4(2)7-6(8)10/h2-3H2,1H3,(H,7,10)
InChIKeyZHXNGEAIXYSTPR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.07
Rot. Bonds1

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

3-ethyl-5-methylideneimidazolidine-2,4-dione (PubChem CID 20515710) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-ethyl-5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-methylideneimidazolidine-2,4-dione
PubChem CID20515710
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-ethyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(CC)C1=O
InChIInChI=1S/C6H8N2O2/c1-3-8-5(9)4(2)7-6(8)10/h2-3H2,1H3,(H,7,10)
InChIKeyZHXNGEAIXYSTPR-UHFFFAOYSA-N
XLogP0.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.07
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-ethyl-5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-methylideneimidazolidine-2,4-dione (CID 20515710) is 3-ethyl-5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-methylideneimidazolidine-2,4-dione is C=C1NC(=O)N(CC)C1=O.
What is the InChIKey of 3-ethyl-5-methylideneimidazolidine-2,4-dione?
The InChIKey is ZHXNGEAIXYSTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-8-5(9)4(2)7-6(8)10/h2-3H2,1H3,(H,7,10).
What are the key properties of 3-ethyl-5-methylideneimidazolidine-2,4-dione?
3-ethyl-5-methylideneimidazolidine-2,4-dione has a molecular weight of 140.14 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 20515710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).