indol-1-yl acetate

C10H9NO2 — CID 575980

IUPACindol-1-yl acetate
SMILESCC(=O)On1ccc2ccccc21
InChIInChI=1S/C10H9NO2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKeyOFTUKEVRNXJIOG-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.62
Rot. Bonds1

About indol-1-yl acetate

indol-1-yl acetate (PubChem CID 575980) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is indol-1-yl acetate.

Molecular Properties

Compound Nameindol-1-yl acetate
PubChem CID575980
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Nameindol-1-yl acetate
SMILESCC(=O)On1ccc2ccccc21
InChIInChI=1S/C10H9NO2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKeyOFTUKEVRNXJIOG-UHFFFAOYSA-N
XLogP1.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of indol-1-yl acetate?
The IUPAC name of indol-1-yl acetate (CID 575980) is indol-1-yl acetate.
What is the SMILES notation for indol-1-yl acetate?
The canonical SMILES for indol-1-yl acetate is CC(=O)On1ccc2ccccc21.
What is the InChIKey of indol-1-yl acetate?
The InChIKey is OFTUKEVRNXJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3.
What are the key properties of indol-1-yl acetate?
indol-1-yl acetate has a molecular weight of 175.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl acetate is sourced from PubChem (CID 575980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).