2-(1H-indol-3-yl)ethanol;nitrous acid

C10H12N2O3 — CID 162624024

IUPAC2-(1H-indol-3-yl)ethanol;nitrous acid
SMILESO=NO.OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO.HNO2/c12-6-5-8-7-11-10-4-2-1-3-9(8)10;2-1-3/h1-4,7,11-12H,5-6H2;(H,2,3)
InChIKeyULIWRLNSZYQVGX-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.84
Rot. Bonds2

About 2-(1H-indol-3-yl)ethanol;nitrous acid

2-(1H-indol-3-yl)ethanol;nitrous acid (PubChem CID 162624024) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethanol;nitrous acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethanol;nitrous acid
PubChem CID162624024
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(1H-indol-3-yl)ethanol;nitrous acid
SMILESO=NO.OCCc1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO.HNO2/c12-6-5-8-7-11-10-4-2-1-3-9(8)10;2-1-3/h1-4,7,11-12H,5-6H2;(H,2,3)
InChIKeyULIWRLNSZYQVGX-UHFFFAOYSA-N
XLogP1.84
TPSA85.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
4-(1H-indol-3-yl)butanamide
CID 588715
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethanol;nitrous acid?
The IUPAC name of 2-(1H-indol-3-yl)ethanol;nitrous acid (CID 162624024) is 2-(1H-indol-3-yl)ethanol;nitrous acid.
What is the SMILES notation for 2-(1H-indol-3-yl)ethanol;nitrous acid?
The canonical SMILES for 2-(1H-indol-3-yl)ethanol;nitrous acid is O=NO.OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethanol;nitrous acid?
The InChIKey is ULIWRLNSZYQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.HNO2/c12-6-5-8-7-11-10-4-2-1-3-9(8)10;2-1-3/h1-4,7,11-12H,5-6H2;(H,2,3).
What are the key properties of 2-(1H-indol-3-yl)ethanol;nitrous acid?
2-(1H-indol-3-yl)ethanol;nitrous acid has a molecular weight of 208.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethanol;nitrous acid is sourced from PubChem (CID 162624024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).