2-(2-aminoethyl)-1H-indol-3-ol

C10H12N2O — CID 54537889

IUPAC2-(2-aminoethyl)-1H-indol-3-ol
SMILESNCCc1[nH]c2ccccc2c1O
InChIInChI=1S/C10H12N2O/c11-6-5-9-10(13)7-3-1-2-4-8(7)12-9/h1-4,12-13H,5-6,11H2
InChIKeyZBBPMSAGTUXXNQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds2

About 2-(2-aminoethyl)-1H-indol-3-ol

2-(2-aminoethyl)-1H-indol-3-ol (PubChem CID 54537889) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1H-indol-3-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-1H-indol-3-ol
PubChem CID54537889
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2-aminoethyl)-1H-indol-3-ol
SMILESNCCc1[nH]c2ccccc2c1O
InChIInChI=1S/C10H12N2O/c11-6-5-9-10(13)7-3-1-2-4-8(7)12-9/h1-4,12-13H,5-6,11H2
InChIKeyZBBPMSAGTUXXNQ-UHFFFAOYSA-N
XLogP1.37
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1H-indol-3-ol?
The IUPAC name of 2-(2-aminoethyl)-1H-indol-3-ol (CID 54537889) is 2-(2-aminoethyl)-1H-indol-3-ol.
What is the SMILES notation for 2-(2-aminoethyl)-1H-indol-3-ol?
The canonical SMILES for 2-(2-aminoethyl)-1H-indol-3-ol is NCCc1[nH]c2ccccc2c1O.
What is the InChIKey of 2-(2-aminoethyl)-1H-indol-3-ol?
The InChIKey is ZBBPMSAGTUXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-5-9-10(13)7-3-1-2-4-8(7)12-9/h1-4,12-13H,5-6,11H2.
What are the key properties of 2-(2-aminoethyl)-1H-indol-3-ol?
2-(2-aminoethyl)-1H-indol-3-ol has a molecular weight of 176.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1H-indol-3-ol is sourced from PubChem (CID 54537889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).