2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde

C17H14N2O — CID 129320516

IUPAC2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2
InChIKeyGFACBUCIUAKRSV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.43
Rot. Bonds2

About 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde

2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde (PubChem CID 129320516) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde
PubChem CID129320516
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2
InChIKeyGFACBUCIUAKRSV-UHFFFAOYSA-N
XLogP3.43
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde (CID 129320516) is 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde is O=CN1c2ccccc2CC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is GFACBUCIUAKRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2.
What are the key properties of 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde?
2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 129320516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).