2-(1H-indol-3-yl)acetate

C10H8NO2- — CID 801

IUPAC2-(1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-M
MW174.18 g/mol
LogP0.46
Rot. Bonds2

About 2-(1H-indol-3-yl)acetate

2-(1H-indol-3-yl)acetate (PubChem CID 801) has the molecular formula C10H8NO2- and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetate
PubChem CID801
Molecular FormulaC10H8NO2-
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name2-(1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-M
XLogP0.46
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetate?
The IUPAC name of 2-(1H-indol-3-yl)acetate (CID 801) is 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(1H-indol-3-yl)acetate?
The canonical SMILES for 2-(1H-indol-3-yl)acetate is O=C([O-])Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetate?
The InChIKey is SEOVTRFCIGRIMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1.
What are the key properties of 2-(1H-indol-3-yl)acetate?
2-(1H-indol-3-yl)acetate has a molecular weight of 174.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).