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

C12H13NO2 — CID 13067

IUPACethyl 2-(1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3
InChIKeyHUDBDWIQSIGUDI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.27
Rot. Bonds3

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

ethyl 2-(1H-indol-3-yl)acetate (PubChem CID 13067) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-3-yl)acetate
PubChem CID13067
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl 2-(1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3
InChIKeyHUDBDWIQSIGUDI-UHFFFAOYSA-N
XLogP2.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(1H-indol-3-yl)acetate (CID 13067) is ethyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-(1H-indol-3-yl)acetate?
The InChIKey is HUDBDWIQSIGUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3.
What are the key properties of ethyl 2-(1H-indol-3-yl)acetate?
ethyl 2-(1H-indol-3-yl)acetate has a molecular weight of 203.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 13067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).