ethyl 3-(7-ethylindol-1-yl)propanoate

C15H19NO2 — CID 43365480

IUPACethyl 3-(7-ethylindol-1-yl)propanoate
SMILESCCOC(=O)CCn1ccc2cccc(CC)c21
InChIInChI=1S/C15H19NO2/c1-3-12-6-5-7-13-8-10-16(15(12)13)11-9-14(17)18-4-2/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyJYFNOSIXGSJDGC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.16
Rot. Bonds5

About ethyl 3-(7-ethylindol-1-yl)propanoate

ethyl 3-(7-ethylindol-1-yl)propanoate (PubChem CID 43365480) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-(7-ethylindol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-ethylindol-1-yl)propanoate
PubChem CID43365480
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 3-(7-ethylindol-1-yl)propanoate
SMILESCCOC(=O)CCn1ccc2cccc(CC)c21
InChIInChI=1S/C15H19NO2/c1-3-12-6-5-7-13-8-10-16(15(12)13)11-9-14(17)18-4-2/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyJYFNOSIXGSJDGC-UHFFFAOYSA-N
XLogP3.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-ethylindol-1-yl)propanoate?
The IUPAC name of ethyl 3-(7-ethylindol-1-yl)propanoate (CID 43365480) is ethyl 3-(7-ethylindol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-ethylindol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(7-ethylindol-1-yl)propanoate is CCOC(=O)CCn1ccc2cccc(CC)c21.
What is the InChIKey of ethyl 3-(7-ethylindol-1-yl)propanoate?
The InChIKey is JYFNOSIXGSJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12-6-5-7-13-8-10-16(15(12)13)11-9-14(17)18-4-2/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of ethyl 3-(7-ethylindol-1-yl)propanoate?
ethyl 3-(7-ethylindol-1-yl)propanoate has a molecular weight of 245.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-ethylindol-1-yl)propanoate is sourced from PubChem (CID 43365480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).