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

C4H3BrN2O2 — CID 11298442

IUPAC(5Z)-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-UPHRSURJSA-N
MW190.98 g/mol
LogP0.06
Rot. Bonds

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

(5Z)-5-(bromomethylidene)imidazolidine-2,4-dione (PubChem CID 11298442) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)imidazolidine-2,4-dione
PubChem CID11298442
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name(5Z)-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-UPHRSURJSA-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 (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione (CID 11298442) is (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/Br)N1.
What is the InChIKey of (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione?
The InChIKey is YOZSOYVCZSKSNP-UPHRSURJSA-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 (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione?
(5Z)-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 (5Z)-5-(bromomethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 11298442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).