(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione

C10H8N2O2 — CID 135043475

IUPAC(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione
SMILES[2H]c1[13cH]c([2H])c([2H])c(/C=C2\NC(=O)NC2=O)c1[2H]
InChIInChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-/i1+1,2D,3D,4D,5D
InChIKeyUDTSPKADQGPZFS-XEALOTGBSA-N
MW193.20 g/mol
LogP0.87
Rot. Bonds1

About (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 135043475) has the molecular formula C10H8N2O2 and a molecular weight of 193.20 g/mol. Its IUPAC name is (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione
PubChem CID135043475
Molecular FormulaC10H8N2O2
Molecular Weight193.20 g/mol
Exact Mass193.09
IUPAC Name(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione
SMILES[2H]c1[13cH]c([2H])c([2H])c(/C=C2\NC(=O)NC2=O)c1[2H]
InChIInChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-/i1+1,2D,3D,4D,5D
InChIKeyUDTSPKADQGPZFS-XEALOTGBSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.87
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-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione (CID 135043475) is (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione is [2H]c1[13cH]c([2H])c([2H])c(/C=C2\NC(=O)NC2=O)c1[2H].
What is the InChIKey of (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UDTSPKADQGPZFS-XEALOTGBSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-/i1+1,2D,3D,4D,5D.
What are the key properties of (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 193.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3,5,6-tetradeuterio(413C)cyclohexa-1,3,5-trien-1-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 135043475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).