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

C17H15NO2 — CID 2196763

IUPAC1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
SMILESCc1ccc(C)c(CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(2)13(9-11)10-18-15-6-4-3-5-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3
InChIKeyBYCOWZWAVCUMFR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.03
Rot. Bonds2

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

1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione (PubChem CID 2196763) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
PubChem CID2196763
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
SMILESCc1ccc(C)c(CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-12(2)13(9-11)10-18-15-6-4-3-5-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3
InChIKeyBYCOWZWAVCUMFR-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 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione (CID 2196763) is 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione is Cc1ccc(C)c(CN2C(=O)C(=O)c3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione?
The InChIKey is BYCOWZWAVCUMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-12(2)13(9-11)10-18-15-6-4-3-5-14(15)16(19)17(18)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione?
1-[(2,5-dimethylphenyl)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 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 2196763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).