potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide

C13H17KN+ — CID 140660238

IUPACpotassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide
SMILESCC[N+]1=C(C)C(C)(C)c2c[c-]ccc21.[K+]
InChIInChI=1S/C13H17N.K/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;/h7-9H,5H2,1-4H3;/q;+1
InChIKeyHUCXKJFDOXGXOO-UHFFFAOYSA-N
MW226.38 g/mol
LogP-0.09
Rot. Bonds1

About potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide

potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide (PubChem CID 140660238) has the molecular formula C13H17KN+ and a molecular weight of 226.38 g/mol. Its IUPAC name is potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide.

Molecular Properties

Compound Namepotassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide
PubChem CID140660238
Molecular FormulaC13H17KN+
Molecular Weight226.38 g/mol
Exact Mass226.10
IUPAC Namepotassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide
SMILESCC[N+]1=C(C)C(C)(C)c2c[c-]ccc21.[K+]
InChIInChI=1S/C13H17N.K/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;/h7-9H,5H2,1-4H3;/q;+1
InChIKeyHUCXKJFDOXGXOO-UHFFFAOYSA-N
XLogP-0.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
sodium 7-(18F)fluoro-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489082
sodium 7-iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489085
sodium 4-iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489087
sodium 7-(131I)iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489090
sodium 4-(131I)iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489093
sodium 6-(131I)iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489095
sodium 6-iodo-2,3,3-trimethyl-1-propyl-5H-indol-1-ium-5-ide
CID 58489097
sodium 2,3,3-trimethyl-5H-indol-5-ide
CID 58567027
(3Z,5Z)-8,8,9-trimethyl-7-methylidene-2H-azonine
CID 89099110
potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide
CID 167423280
(5E)-1-[3-(cyclooctatetraenyl)propyl]-5-ethylidene-2,3,3-trimethyl-4-methylidenepyrrol-1-ium
CID 145614243

Frequently Asked Questions

What is the IUPAC name of potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide?
The IUPAC name of potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide (CID 140660238) is potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide.
What is the SMILES notation for potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide?
The canonical SMILES for potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide is CC[N+]1=C(C)C(C)(C)c2c[c-]ccc21.[K+].
What is the InChIKey of potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide?
The InChIKey is HUCXKJFDOXGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.K/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;/h7-9H,5H2,1-4H3;/q;+1.
What are the key properties of potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide?
potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide has a molecular weight of 226.38 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide is sourced from PubChem (CID 140660238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).