5-phenyl-1H-indole-2,3-dione

C14H9NO2 — CID 14810157

IUPAC5-phenyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17)
InChIKeySCYQIRIBDBKXGG-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.49
Rot. Bonds1

About 5-phenyl-1H-indole-2,3-dione

5-phenyl-1H-indole-2,3-dione (PubChem CID 14810157) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-phenyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-phenyl-1H-indole-2,3-dione
PubChem CID14810157
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name5-phenyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17)
InChIKeySCYQIRIBDBKXGG-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-indole-2,3-dione?
The IUPAC name of 5-phenyl-1H-indole-2,3-dione (CID 14810157) is 5-phenyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-phenyl-1H-indole-2,3-dione?
The canonical SMILES for 5-phenyl-1H-indole-2,3-dione is O=C1Nc2ccc(-c3ccccc3)cc2C1=O.
What is the InChIKey of 5-phenyl-1H-indole-2,3-dione?
The InChIKey is SCYQIRIBDBKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17).
What are the key properties of 5-phenyl-1H-indole-2,3-dione?
5-phenyl-1H-indole-2,3-dione has a molecular weight of 223.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-indole-2,3-dione is sourced from PubChem (CID 14810157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).