1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde

C19H16N2O2 — CID 2060018

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CC(=O)N2CCc3ccccc32)c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-13-15-11-20(18-8-4-2-6-16(15)18)12-19(23)21-10-9-14-5-1-3-7-17(14)21/h1-8,11,13H,9-10,12H2
InChIKeyWNNUHYIGJUHJSO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde (PubChem CID 2060018) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde
PubChem CID2060018
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SMILESO=Cc1cn(CC(=O)N2CCc3ccccc32)c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-13-15-11-20(18-8-4-2-6-16(15)18)12-19(23)21-10-9-14-5-1-3-7-17(14)21/h1-8,11,13H,9-10,12H2
InChIKeyWNNUHYIGJUHJSO-UHFFFAOYSA-N
XLogP3.04
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde (CID 2060018) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde is O=Cc1cn(CC(=O)N2CCc3ccccc32)c2ccccc12.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The InChIKey is WNNUHYIGJUHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-13-15-11-20(18-8-4-2-6-16(15)18)12-19(23)21-10-9-14-5-1-3-7-17(14)21/h1-8,11,13H,9-10,12H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde has a molecular weight of 304.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-3-carbaldehyde is sourced from PubChem (CID 2060018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).