5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione

C12H10N4O3 — CID 89070316

IUPAC5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C=Cc2ccc3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H10N4O3/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8/h1-5,8H,(H2,15,16,17)(H2,13,14,18,19)
InChIKeyILMTYZDDDGSLTO-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.08
Rot. Bonds2

About 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione

5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione (PubChem CID 89070316) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione
PubChem CID89070316
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C=Cc2ccc3c(=O)[nH][nH]c3c2)N1
InChIInChI=1S/C12H10N4O3/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8/h1-5,8H,(H2,15,16,17)(H2,13,14,18,19)
InChIKeyILMTYZDDDGSLTO-UHFFFAOYSA-N
XLogP0.08
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione (CID 89070316) is 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C=Cc2ccc3c(=O)[nH][nH]c3c2)N1.
What is the InChIKey of 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione?
The InChIKey is ILMTYZDDDGSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10-7-3-1-6(5-9(7)15-16-10)2-4-8-11(18)14-12(19)13-8/h1-5,8H,(H2,15,16,17)(H2,13,14,18,19).
What are the key properties of 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione?
5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione has a molecular weight of 258.24 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-oxo-1,2-dihydroindazol-6-yl)ethenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 89070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).