hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium

C10H11N2O3+ — CID 165088178

IUPAChydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
SMILESO=[N+](O)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N2O3/c13-12(14)15-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H,13,14)/q+1
InChIKeyWGBLIFQJAKKNGF-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.81
Rot. Bonds4

About hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium

hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium (PubChem CID 165088178) has the molecular formula C10H11N2O3+ and a molecular weight of 207.21 g/mol. Its IUPAC name is hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium.

Molecular Properties

Compound Namehydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
PubChem CID165088178
Molecular FormulaC10H11N2O3+
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Namehydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
SMILESO=[N+](O)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N2O3/c13-12(14)15-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H,13,14)/q+1
InChIKeyWGBLIFQJAKKNGF-UHFFFAOYSA-N
XLogP1.81
TPSA65.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)propyl dihydrogen phosphate
CID 3713
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
CID 102132135
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
3-(1H-indol-3-yl)propyl 2,2,2-trichloroacetate
CID 15174890
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium?
The IUPAC name of hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium (CID 165088178) is hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium.
What is the SMILES notation for hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium?
The canonical SMILES for hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium is O=[N+](O)OCCc1c[nH]c2ccccc12.
What is the InChIKey of hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium?
The InChIKey is WGBLIFQJAKKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O3/c13-12(14)15-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H,13,14)/q+1.
What are the key properties of hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium?
hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium has a molecular weight of 207.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium is sourced from PubChem (CID 165088178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).