1-phenylindazole-4,7-dione

C13H8N2O2 — CID 102097080

IUPAC1-phenylindazole-4,7-dione
SMILESO=C1C=CC(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C13H8N2O2/c16-11-6-7-12(17)13-10(11)8-14-15(13)9-4-2-1-3-5-9/h1-8H
InChIKeyJXLXMNDJRNFQAY-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.81
Rot. Bonds1

About 1-phenylindazole-4,7-dione

1-phenylindazole-4,7-dione (PubChem CID 102097080) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-phenylindazole-4,7-dione.

Molecular Properties

Compound Name1-phenylindazole-4,7-dione
PubChem CID102097080
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name1-phenylindazole-4,7-dione
SMILESO=C1C=CC(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C13H8N2O2/c16-11-6-7-12(17)13-10(11)8-14-15(13)9-4-2-1-3-5-9/h1-8H
InChIKeyJXLXMNDJRNFQAY-UHFFFAOYSA-N
XLogP1.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid
CID 133083962
CID 53475174
CID 53475174
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1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
CID 10612565
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
2-(1,5-diphenylpyrazol-4-yl)acetaldehyde
CID 54061818
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395
2-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]chromen-4-one
CID 53232176
5-phenyl-7-oxa-4,5-diazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),2(6),3,8,10,12,14,16-octaene
CID 171436360
hydron;naphthalene-1,4-dione
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3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole
CID 1477670

Frequently Asked Questions

What is the IUPAC name of 1-phenylindazole-4,7-dione?
The IUPAC name of 1-phenylindazole-4,7-dione (CID 102097080) is 1-phenylindazole-4,7-dione.
What is the SMILES notation for 1-phenylindazole-4,7-dione?
The canonical SMILES for 1-phenylindazole-4,7-dione is O=C1C=CC(=O)c2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenylindazole-4,7-dione?
The InChIKey is JXLXMNDJRNFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-11-6-7-12(17)13-10(11)8-14-15(13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-phenylindazole-4,7-dione?
1-phenylindazole-4,7-dione has a molecular weight of 224.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylindazole-4,7-dione is sourced from PubChem (CID 102097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).