ethyl 2-(3-ethylindol-1-yl)acetate

C14H17NO2 — CID 59177495

IUPACethyl 2-(3-ethylindol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(CC)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13/h5-9H,3-4,10H2,1-2H3
InChIKeyCAOSNGHLEQKCHZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-(3-ethylindol-1-yl)acetate

ethyl 2-(3-ethylindol-1-yl)acetate (PubChem CID 59177495) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-(3-ethylindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethylindol-1-yl)acetate
PubChem CID59177495
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-(3-ethylindol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(CC)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13/h5-9H,3-4,10H2,1-2H3
InChIKeyCAOSNGHLEQKCHZ-UHFFFAOYSA-N
XLogP2.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylindol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethylindol-1-yl)acetate (CID 59177495) is ethyl 2-(3-ethylindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethylindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethylindol-1-yl)acetate is CCOC(=O)Cn1cc(CC)c2ccccc21.
What is the InChIKey of ethyl 2-(3-ethylindol-1-yl)acetate?
The InChIKey is CAOSNGHLEQKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(3-ethylindol-1-yl)acetate?
ethyl 2-(3-ethylindol-1-yl)acetate has a molecular weight of 231.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylindol-1-yl)acetate is sourced from PubChem (CID 59177495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).