potassium 4-(1H-indol-3-yl)butanoate

C12H12KNO2 — CID 23664348

IUPACpotassium 4-(1H-indol-3-yl)butanoate
SMILESO=C([O-])CCCc1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1
InChIKeyKTWDHJYSJOSTSJ-UHFFFAOYSA-M
MW241.33 g/mol
LogP-1.76
Rot. Bonds4

About potassium 4-(1H-indol-3-yl)butanoate

potassium 4-(1H-indol-3-yl)butanoate (PubChem CID 23664348) has the molecular formula C12H12KNO2 and a molecular weight of 241.33 g/mol. Its IUPAC name is potassium 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Namepotassium 4-(1H-indol-3-yl)butanoate
PubChem CID23664348
Molecular FormulaC12H12KNO2
Molecular Weight241.33 g/mol
Exact Mass241.05
IUPAC Namepotassium 4-(1H-indol-3-yl)butanoate
SMILESO=C([O-])CCCc1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1
InChIKeyKTWDHJYSJOSTSJ-UHFFFAOYSA-M
XLogP-1.76
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(1H-indol-3-yl)butanoate?
The IUPAC name of potassium 4-(1H-indol-3-yl)butanoate (CID 23664348) is potassium 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for potassium 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for potassium 4-(1H-indol-3-yl)butanoate is O=C([O-])CCCc1c[nH]c2ccccc12.[K+].
What is the InChIKey of potassium 4-(1H-indol-3-yl)butanoate?
The InChIKey is KTWDHJYSJOSTSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 4-(1H-indol-3-yl)butanoate?
potassium 4-(1H-indol-3-yl)butanoate has a molecular weight of 241.33 g/mol, XLogP of -1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 23664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).