1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione

C19H16N2O2 — CID 5297397

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H16N2O2/c1-20-12-15(14-7-3-5-9-17(14)20)18(22)19(23)21-11-10-13-6-2-4-8-16(13)21/h2-9,12H,10-11H2,1H3
InChIKeyAUEOENXYGUXLOS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.95
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione

1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione (PubChem CID 5297397) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
PubChem CID5297397
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H16N2O2/c1-20-12-15(14-7-3-5-9-17(14)20)18(22)19(23)21-11-10-13-6-2-4-8-16(13)21/h2-9,12H,10-11H2,1H3
InChIKeyAUEOENXYGUXLOS-UHFFFAOYSA-N
XLogP2.95
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
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-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione (CID 5297397) is 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione is Cn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The InChIKey is AUEOENXYGUXLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-20-12-15(14-7-3-5-9-17(14)20)18(22)19(23)21-11-10-13-6-2-4-8-16(13)21/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione has a molecular weight of 304.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 5297397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).