5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione

C17H15NO2 — CID 2213646

IUPAC5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione
SMILESCc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C17H15NO2/c1-11-3-6-13(7-4-11)10-18-15-8-5-12(2)9-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3
InChIKeyLIWVQZXHYAWLQO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.03
Rot. Bonds2

About 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione

5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione (PubChem CID 2213646) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione
PubChem CID2213646
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione
SMILESCc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C17H15NO2/c1-11-3-6-13(7-4-11)10-18-15-8-5-12(2)9-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3
InChIKeyLIWVQZXHYAWLQO-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.03
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 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione (CID 2213646) is 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione is Cc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The InChIKey is LIWVQZXHYAWLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-3-6-13(7-4-11)10-18-15-8-5-12(2)9-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione?
5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 2213646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).