3-(2-aminoethyl)-1,2-dihydroindol-3-ol

C10H14N2O — CID 19914408

IUPAC3-(2-aminoethyl)-1,2-dihydroindol-3-ol
SMILESNCCC1(O)CNc2ccccc21
InChIInChI=1S/C10H14N2O/c11-6-5-10(13)7-12-9-4-2-1-3-8(9)10/h1-4,12-13H,5-7,11H2
InChIKeyVGKCTIARNXIVBK-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.65
Rot. Bonds2

About 3-(2-aminoethyl)-1,2-dihydroindol-3-ol

3-(2-aminoethyl)-1,2-dihydroindol-3-ol (PubChem CID 19914408) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,2-dihydroindol-3-ol
PubChem CID19914408
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(2-aminoethyl)-1,2-dihydroindol-3-ol
SMILESNCCC1(O)CNc2ccccc21
InChIInChI=1S/C10H14N2O/c11-6-5-10(13)7-12-9-4-2-1-3-8(9)10/h1-4,12-13H,5-7,11H2
InChIKeyVGKCTIARNXIVBK-UHFFFAOYSA-N
XLogP0.65
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1,2-dihydroindol-3-ol (CID 19914408) is 3-(2-aminoethyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1,2-dihydroindol-3-ol is NCCC1(O)CNc2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1,2-dihydroindol-3-ol?
The InChIKey is VGKCTIARNXIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-6-5-10(13)7-12-9-4-2-1-3-8(9)10/h1-4,12-13H,5-7,11H2.
What are the key properties of 3-(2-aminoethyl)-1,2-dihydroindol-3-ol?
3-(2-aminoethyl)-1,2-dihydroindol-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 19914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).