3-(1H-indol-3-yl)propanoate

C11H10NO2- — CID 3292996

IUPAC3-(1H-indol-3-yl)propanoate
SMILESO=C([O-])CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-M
MW188.21 g/mol
LogP0.85
Rot. Bonds3

About 3-(1H-indol-3-yl)propanoate

3-(1H-indol-3-yl)propanoate (PubChem CID 3292996) has the molecular formula C11H10NO2- and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propanoate
PubChem CID3292996
Molecular FormulaC11H10NO2-
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name3-(1H-indol-3-yl)propanoate
SMILESO=C([O-])CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-M
XLogP0.85
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propanoate?
The IUPAC name of 3-(1H-indol-3-yl)propanoate (CID 3292996) is 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 3-(1H-indol-3-yl)propanoate is O=C([O-])CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propanoate?
The InChIKey is GOLXRNDWAUTYKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1.
What are the key properties of 3-(1H-indol-3-yl)propanoate?
3-(1H-indol-3-yl)propanoate has a molecular weight of 188.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 3292996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).