(3-hydroxyindol-1-yl) acetate

C10H9NO3 — CID 54423588

IUPAC(3-hydroxyindol-1-yl) acetate
SMILESCC(=O)On1cc(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-7(12)14-11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3
InChIKeyWCNBWNJPQCCZIG-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.32
Rot. Bonds1

About (3-hydroxyindol-1-yl) acetate

(3-hydroxyindol-1-yl) acetate (PubChem CID 54423588) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3-hydroxyindol-1-yl) acetate.

Molecular Properties

Compound Name(3-hydroxyindol-1-yl) acetate
PubChem CID54423588
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(3-hydroxyindol-1-yl) acetate
SMILESCC(=O)On1cc(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-7(12)14-11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3
InChIKeyWCNBWNJPQCCZIG-UHFFFAOYSA-N
XLogP1.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyindol-1-yl) acetate?
The IUPAC name of (3-hydroxyindol-1-yl) acetate (CID 54423588) is (3-hydroxyindol-1-yl) acetate.
What is the SMILES notation for (3-hydroxyindol-1-yl) acetate?
The canonical SMILES for (3-hydroxyindol-1-yl) acetate is CC(=O)On1cc(O)c2ccccc21.
What is the InChIKey of (3-hydroxyindol-1-yl) acetate?
The InChIKey is WCNBWNJPQCCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7(12)14-11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3.
What are the key properties of (3-hydroxyindol-1-yl) acetate?
(3-hydroxyindol-1-yl) acetate has a molecular weight of 191.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyindol-1-yl) acetate is sourced from PubChem (CID 54423588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).