(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione

C5H6N2O3 — CID 3035670

IUPAC(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione
SMILESCO/C=C1/NC(=O)NC1=O
InChIInChI=1S/C5H6N2O3/c1-10-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)/b3-2+
InChIKeyBFTQGPDFFIMRHQ-NSCUHMNNSA-N
MW142.11 g/mol
LogP-0.69
Rot. Bonds1

About (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione

(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione (PubChem CID 3035670) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione
PubChem CID3035670
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione
SMILESCO/C=C1/NC(=O)NC1=O
InChIInChI=1S/C5H6N2O3/c1-10-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)/b3-2+
InChIKeyBFTQGPDFFIMRHQ-NSCUHMNNSA-N
XLogP-0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione (CID 3035670) is (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione is CO/C=C1/NC(=O)NC1=O.
What is the InChIKey of (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione?
The InChIKey is BFTQGPDFFIMRHQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-2-3-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)/b3-2+.
What are the key properties of (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione?
(5E)-5-(methoxymethylidene)imidazolidine-2,4-dione has a molecular weight of 142.11 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(methoxymethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 3035670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).