3-(2-aminoethyl)-1H-indole-5,6-diol

C10H12N2O2 — CID 21163

IUPAC3-(2-aminoethyl)-1H-indole-5,6-diol
SMILESNCCc1c[nH]c2cc(O)c(O)cc12
InChIInChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2
InChIKeySKOKLDQYOKPCPU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds2

About 3-(2-aminoethyl)-1H-indole-5,6-diol

3-(2-aminoethyl)-1H-indole-5,6-diol (PubChem CID 21163) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5,6-diol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5,6-diol
PubChem CID21163
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(2-aminoethyl)-1H-indole-5,6-diol
SMILESNCCc1c[nH]c2cc(O)c(O)cc12
InChIInChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2
InChIKeySKOKLDQYOKPCPU-UHFFFAOYSA-N
XLogP1.08
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Oxitriptan
CID 439280
Serotonin
CID 5202
5-Hydroxyindoleacetic Acid
CID 1826
Bufotenine
CID 10257
(+-)-5-Hydroxytryptophan
CID 144
Psilocin
CID 4980
N-Acetylserotonin
CID 903
6-Hydroxymelatonin
CID 1864
5-Hydroxytryptophol
CID 9061
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5,6-diol?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5,6-diol (CID 21163) is 3-(2-aminoethyl)-1H-indole-5,6-diol.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5,6-diol?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5,6-diol is NCCc1c[nH]c2cc(O)c(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5,6-diol?
The InChIKey is SKOKLDQYOKPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2.
What are the key properties of 3-(2-aminoethyl)-1H-indole-5,6-diol?
3-(2-aminoethyl)-1H-indole-5,6-diol has a molecular weight of 192.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5,6-diol is sourced from PubChem (CID 21163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).