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

C12H13NO2 — CID 588705

IUPAC2-(1H-indol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChIKeyKAWBLROQFPLJEU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.27
Rot. Bonds3

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

2-(1H-indol-3-yl)ethyl acetate (PubChem CID 588705) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl acetate
PubChem CID588705
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(1H-indol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChIKeyKAWBLROQFPLJEU-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 2-(1H-indol-3-yl)ethyl acetate?
The IUPAC name of 2-(1H-indol-3-yl)ethyl acetate (CID 588705) is 2-(1H-indol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl acetate?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl acetate is CC(=O)OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl acetate?
The InChIKey is KAWBLROQFPLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)ethyl acetate?
2-(1H-indol-3-yl)ethyl 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 2-(1H-indol-3-yl)ethyl acetate is sourced from PubChem (CID 588705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).