3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one

C17H16N2O — CID 135406219

IUPAC3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one
SMILESCc1cc(C)c(/N=C2/C(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C17H16N2O/c1-10-8-11(2)15(12(3)9-10)19-16-13-6-4-5-7-14(13)18-17(16)20/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJEYHFTVXKOVCAF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one

3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one (PubChem CID 135406219) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one
PubChem CID135406219
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one
SMILESCc1cc(C)c(/N=C2/C(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C17H16N2O/c1-10-8-11(2)15(12(3)9-10)19-16-13-6-4-5-7-14(13)18-17(16)20/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJEYHFTVXKOVCAF-UHFFFAOYSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one (CID 135406219) is 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one is Cc1cc(C)c(/N=C2/C(=O)Nc3ccccc32)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one?
The InChIKey is JEYHFTVXKOVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-8-11(2)15(12(3)9-10)19-16-13-6-4-5-7-14(13)18-17(16)20/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one?
3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135406219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).