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

C17H16N2O2 — CID 19166936

IUPAC1-[(3,5-dimethylanilino)methyl]indole-2,3-dione
SMILESCc1cc(C)cc(NCN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)18-10-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-9,18H,10H2,1-2H3
InChIKeyCGNYCFZVCKKTDL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.90
Rot. Bonds3

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

1-[(3,5-dimethylanilino)methyl]indole-2,3-dione (PubChem CID 19166936) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(3,5-dimethylanilino)methyl]indole-2,3-dione
PubChem CID19166936
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[(3,5-dimethylanilino)methyl]indole-2,3-dione
SMILESCc1cc(C)cc(NCN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)18-10-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-9,18H,10H2,1-2H3
InChIKeyCGNYCFZVCKKTDL-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3,5-dimethylanilino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione (CID 19166936) is 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione is Cc1cc(C)cc(NCN2C(=O)C(=O)c3ccccc32)c1.
What is the InChIKey of 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione?
The InChIKey is CGNYCFZVCKKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)18-10-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione?
1-[(3,5-dimethylanilino)methyl]indole-2,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylanilino)methyl]indole-2,3-dione is sourced from PubChem (CID 19166936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).