2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one

C18H16N2O — CID 139554596

IUPAC2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one
SMILESCn1cc(C2(C)Nc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-18(17(21)13-8-3-5-9-15(13)19-18)14-11-20(2)16-10-6-4-7-12(14)16/h3-11,19H,1-2H3
InChIKeyAMWOAHQIQNRJAF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.70
Rot. Bonds1

About 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one

2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one (PubChem CID 139554596) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one
PubChem CID139554596
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one
SMILESCn1cc(C2(C)Nc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-18(17(21)13-8-3-5-9-15(13)19-18)14-11-20(2)16-10-6-4-7-12(14)16/h3-11,19H,1-2H3
InChIKeyAMWOAHQIQNRJAF-UHFFFAOYSA-N
XLogP3.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one?
The IUPAC name of 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one (CID 139554596) is 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one.
What is the SMILES notation for 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one?
The canonical SMILES for 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one is Cn1cc(C2(C)Nc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one?
The InChIKey is AMWOAHQIQNRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-18(17(21)13-8-3-5-9-15(13)19-18)14-11-20(2)16-10-6-4-7-12(14)16/h3-11,19H,1-2H3.
What are the key properties of 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one?
2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one has a molecular weight of 276.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-3-yl)-1H-indol-3-one is sourced from PubChem (CID 139554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).