1-(2,2-diethoxyethyl)indole

C14H19NO2 — CID 22013069

IUPAC1-(2,2-diethoxyethyl)indole
SMILESCCOC(Cn1ccc2ccccc21)OCC
InChIInChI=1S/C14H19NO2/c1-3-16-14(17-4-2)11-15-10-9-12-7-5-6-8-13(12)15/h5-10,14H,3-4,11H2,1-2H3
InChIKeyYUEGZKLHHPSXQY-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.04
Rot. Bonds6

About 1-(2,2-diethoxyethyl)indole

1-(2,2-diethoxyethyl)indole (PubChem CID 22013069) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)indole.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)indole
PubChem CID22013069
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,2-diethoxyethyl)indole
SMILESCCOC(Cn1ccc2ccccc21)OCC
InChIInChI=1S/C14H19NO2/c1-3-16-14(17-4-2)11-15-10-9-12-7-5-6-8-13(12)15/h5-10,14H,3-4,11H2,1-2H3
InChIKeyYUEGZKLHHPSXQY-UHFFFAOYSA-N
XLogP3.04
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)indole?
The IUPAC name of 1-(2,2-diethoxyethyl)indole (CID 22013069) is 1-(2,2-diethoxyethyl)indole.
What is the SMILES notation for 1-(2,2-diethoxyethyl)indole?
The canonical SMILES for 1-(2,2-diethoxyethyl)indole is CCOC(Cn1ccc2ccccc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)indole?
The InChIKey is YUEGZKLHHPSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-16-14(17-4-2)11-15-10-9-12-7-5-6-8-13(12)15/h5-10,14H,3-4,11H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)indole?
1-(2,2-diethoxyethyl)indole has a molecular weight of 233.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)indole is sourced from PubChem (CID 22013069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).