2-(4-hydroxy-1H-indol-3-yl)ethylazanium

C10H13N2O+ — CID 38988828

IUPAC2-(4-hydroxy-1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2/p+1
InChIKeyFKIRTWDHOWAQGX-UHFFFAOYSA-O
MW177.23 g/mol
LogP0.66
Rot. Bonds2

About 2-(4-hydroxy-1H-indol-3-yl)ethylazanium

2-(4-hydroxy-1H-indol-3-yl)ethylazanium (PubChem CID 38988828) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-(4-hydroxy-1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Name2-(4-hydroxy-1H-indol-3-yl)ethylazanium
PubChem CID38988828
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name2-(4-hydroxy-1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2/p+1
InChIKeyFKIRTWDHOWAQGX-UHFFFAOYSA-O
XLogP0.66
TPSA63.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1H-indol-3-yl)ethylazanium?
The IUPAC name of 2-(4-hydroxy-1H-indol-3-yl)ethylazanium (CID 38988828) is 2-(4-hydroxy-1H-indol-3-yl)ethylazanium.
What is the SMILES notation for 2-(4-hydroxy-1H-indol-3-yl)ethylazanium?
The canonical SMILES for 2-(4-hydroxy-1H-indol-3-yl)ethylazanium is [NH3+]CCc1c[nH]c2cccc(O)c12.
What is the InChIKey of 2-(4-hydroxy-1H-indol-3-yl)ethylazanium?
The InChIKey is FKIRTWDHOWAQGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2/p+1.
What are the key properties of 2-(4-hydroxy-1H-indol-3-yl)ethylazanium?
2-(4-hydroxy-1H-indol-3-yl)ethylazanium has a molecular weight of 177.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 38988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).