1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone

C18H16N2O — CID 2090020

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(20-10-9-13-5-1-4-8-17(13)20)11-14-12-19-16-7-3-2-6-15(14)16/h1-8,12,19H,9-11H2
InChIKeyYBOQDUTZWBAWMK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.30
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 2090020) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID2090020
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-18(20-10-9-13-5-1-4-8-17(13)20)11-14-12-19-16-7-3-2-6-15(14)16/h1-8,12,19H,9-11H2
InChIKeyYBOQDUTZWBAWMK-UHFFFAOYSA-N
XLogP3.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone (CID 2090020) is 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is YBOQDUTZWBAWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(20-10-9-13-5-1-4-8-17(13)20)11-14-12-19-16-7-3-2-6-15(14)16/h1-8,12,19H,9-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2090020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).