5,6-dimethyl-1-phenylindole-2,3-dione

C16H13NO2 — CID 58784925

IUPAC5,6-dimethyl-1-phenylindole-2,3-dione
SMILESCc1cc2c(cc1C)N(c1ccccc1)C(=O)C2=O
InChIInChI=1S/C16H13NO2/c1-10-8-13-14(9-11(10)2)17(16(19)15(13)18)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXUWARDALHXUNHG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.16
Rot. Bonds1

About 5,6-dimethyl-1-phenylindole-2,3-dione

5,6-dimethyl-1-phenylindole-2,3-dione (PubChem CID 58784925) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5,6-dimethyl-1-phenylindole-2,3-dione.

Molecular Properties

Compound Name5,6-dimethyl-1-phenylindole-2,3-dione
PubChem CID58784925
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name5,6-dimethyl-1-phenylindole-2,3-dione
SMILESCc1cc2c(cc1C)N(c1ccccc1)C(=O)C2=O
InChIInChI=1S/C16H13NO2/c1-10-8-13-14(9-11(10)2)17(16(19)15(13)18)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXUWARDALHXUNHG-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-1-phenylindole-2,3-dione
CID 2750946
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
2-(4-fluoro-2-methylphenyl)isoquinoline-1,3,4-trione
CID 101438439
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
1-(4-bromophenyl)indole-2,3-dione
CID 53359241
5,6-dimethyl-4-phenoxy-2-phenylisoindole-1,3-dione
CID 171480868
N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 155421129
3-(3,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110589564
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
3-diazo-1-phenylquinoline-2,4-dione
CID 142772637
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-phenylindole-2,3-dione?
The IUPAC name of 5,6-dimethyl-1-phenylindole-2,3-dione (CID 58784925) is 5,6-dimethyl-1-phenylindole-2,3-dione.
What is the SMILES notation for 5,6-dimethyl-1-phenylindole-2,3-dione?
The canonical SMILES for 5,6-dimethyl-1-phenylindole-2,3-dione is Cc1cc2c(cc1C)N(c1ccccc1)C(=O)C2=O.
What is the InChIKey of 5,6-dimethyl-1-phenylindole-2,3-dione?
The InChIKey is XUWARDALHXUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-8-13-14(9-11(10)2)17(16(19)15(13)18)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 5,6-dimethyl-1-phenylindole-2,3-dione?
5,6-dimethyl-1-phenylindole-2,3-dione has a molecular weight of 251.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-phenylindole-2,3-dione is sourced from PubChem (CID 58784925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).