potassium 2-indol-1-ylacetate

C10H8KNO2 — CID 172851034

IUPACpotassium 2-indol-1-ylacetate
SMILESO=C([O-])Cn1ccc2ccccc21.[K+]
InChIInChI=1S/C10H9NO2.K/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;/h1-6H,7H2,(H,12,13);/q;+1/p-1
InChIKeyYBLWTYWSQHOEQC-UHFFFAOYSA-M
MW213.28 g/mol
LogP-2.60
Rot. Bonds2

About potassium 2-indol-1-ylacetate

potassium 2-indol-1-ylacetate (PubChem CID 172851034) has the molecular formula C10H8KNO2 and a molecular weight of 213.28 g/mol. Its IUPAC name is potassium 2-indol-1-ylacetate.

Molecular Properties

Compound Namepotassium 2-indol-1-ylacetate
PubChem CID172851034
Molecular FormulaC10H8KNO2
Molecular Weight213.28 g/mol
Exact Mass213.02
IUPAC Namepotassium 2-indol-1-ylacetate
SMILESO=C([O-])Cn1ccc2ccccc21.[K+]
InChIInChI=1S/C10H9NO2.K/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;/h1-6H,7H2,(H,12,13);/q;+1/p-1
InChIKeyYBLWTYWSQHOEQC-UHFFFAOYSA-M
XLogP-2.60
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
sodium 3-indol-1-yl-2-(indol-1-ylmethyl)propanoate
CID 100988913
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
1-indol-1-yl-3-phenoxypropan-2-one
CID 90966519
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
CID 173480777
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
1-(2,3-dichloroprop-2-enyl)indole
CID 79174107

Frequently Asked Questions

What is the IUPAC name of potassium 2-indol-1-ylacetate?
The IUPAC name of potassium 2-indol-1-ylacetate (CID 172851034) is potassium 2-indol-1-ylacetate.
What is the SMILES notation for potassium 2-indol-1-ylacetate?
The canonical SMILES for potassium 2-indol-1-ylacetate is O=C([O-])Cn1ccc2ccccc21.[K+].
What is the InChIKey of potassium 2-indol-1-ylacetate?
The InChIKey is YBLWTYWSQHOEQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO2.K/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;/h1-6H,7H2,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-indol-1-ylacetate?
potassium 2-indol-1-ylacetate has a molecular weight of 213.28 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-indol-1-ylacetate is sourced from PubChem (CID 172851034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).