1-phenylindole-2,3-dione

C14H9NO2 — CID 12884

IUPAC1-phenylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKeyUWCPWBIMRYXUOU-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.55
Rot. Bonds1

About 1-phenylindole-2,3-dione

1-phenylindole-2,3-dione (PubChem CID 12884) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-phenylindole-2,3-dione.

Molecular Properties

Compound Name1-phenylindole-2,3-dione
PubChem CID12884
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name1-phenylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKeyUWCPWBIMRYXUOU-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 1-phenylindole-2,3-dione?
The IUPAC name of 1-phenylindole-2,3-dione (CID 12884) is 1-phenylindole-2,3-dione.
What is the SMILES notation for 1-phenylindole-2,3-dione?
The canonical SMILES for 1-phenylindole-2,3-dione is O=C1C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenylindole-2,3-dione?
The InChIKey is UWCPWBIMRYXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenylindole-2,3-dione?
1-phenylindole-2,3-dione has a molecular weight of 223.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylindole-2,3-dione is sourced from PubChem (CID 12884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).