indol-1-yl propanoate

C11H11NO2 — CID 66714007

IUPACindol-1-yl propanoate
SMILESCCC(=O)On1ccc2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-11(13)14-12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyFFVQBMCPXHIXKD-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.01
Rot. Bonds2

About indol-1-yl propanoate

indol-1-yl propanoate (PubChem CID 66714007) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is indol-1-yl propanoate.

Molecular Properties

Compound Nameindol-1-yl propanoate
PubChem CID66714007
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameindol-1-yl propanoate
SMILESCCC(=O)On1ccc2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-11(13)14-12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyFFVQBMCPXHIXKD-UHFFFAOYSA-N
XLogP2.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of indol-1-yl propanoate?
The IUPAC name of indol-1-yl propanoate (CID 66714007) is indol-1-yl propanoate.
What is the SMILES notation for indol-1-yl propanoate?
The canonical SMILES for indol-1-yl propanoate is CCC(=O)On1ccc2ccccc21.
What is the InChIKey of indol-1-yl propanoate?
The InChIKey is FFVQBMCPXHIXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-11(13)14-12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3.
What are the key properties of indol-1-yl propanoate?
indol-1-yl propanoate has a molecular weight of 189.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl propanoate is sourced from PubChem (CID 66714007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).