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

C10H13NO3 — CID 123254882

IUPAC5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol
SMILESOCCc1cc2c(cc1O)NC(O)C2
InChIInChI=1S/C10H13NO3/c12-2-1-6-3-7-4-10(14)11-8(7)5-9(6)13/h3,5,10-14H,1-2,4H2
InChIKeyGWWISDCGISQWLP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.21
Rot. Bonds2

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

5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol (PubChem CID 123254882) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol
PubChem CID123254882
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol
SMILESOCCc1cc2c(cc1O)NC(O)C2
InChIInChI=1S/C10H13NO3/c12-2-1-6-3-7-4-10(14)11-8(7)5-9(6)13/h3,5,10-14H,1-2,4H2
InChIKeyGWWISDCGISQWLP-UHFFFAOYSA-N
XLogP0.21
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol?
The IUPAC name of 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol (CID 123254882) is 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol?
The canonical SMILES for 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol is OCCc1cc2c(cc1O)NC(O)C2.
What is the InChIKey of 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol?
The InChIKey is GWWISDCGISQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-2-1-6-3-7-4-10(14)11-8(7)5-9(6)13/h3,5,10-14H,1-2,4H2.
What are the key properties of 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol?
5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol has a molecular weight of 195.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2,6-diol is sourced from PubChem (CID 123254882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).