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

C4H3BrN2O2 — CID 51063953

IUPAC(5E)-5-(bromomethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\Br)N1
InChIInChI=1S/C4H3BrN2O2/c5-1-2-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)/b2-1+
InChIKeyYOZSOYVCZSKSNP-OWOJBTEDSA-N
MW190.98 g/mol
LogP0.06
Rot. Bonds

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

(5E)-5-(bromomethylidene)imidazolidine-2,4-dione (PubChem CID 51063953) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)imidazolidine-2,4-dione
PubChem CID51063953
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name(5E)-5-(bromomethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\Br)N1
InChIInChI=1S/C4H3BrN2O2/c5-1-2-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)/b2-1+
InChIKeyYOZSOYVCZSKSNP-OWOJBTEDSA-N
XLogP0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 50.06
H-Bond Donors ≤ 52
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 (5E)-5-(bromomethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-(bromomethylidene)imidazolidine-2,4-dione (CID 51063953) is (5E)-5-(bromomethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(bromomethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(bromomethylidene)imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\Br)N1.
What is the InChIKey of (5E)-5-(bromomethylidene)imidazolidine-2,4-dione?
The InChIKey is YOZSOYVCZSKSNP-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H3BrN2O2/c5-1-2-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)/b2-1+.
What are the key properties of (5E)-5-(bromomethylidene)imidazolidine-2,4-dione?
(5E)-5-(bromomethylidene)imidazolidine-2,4-dione has a molecular weight of 190.98 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 51063953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).