potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide

C12H15KN+ — CID 167423280

IUPACpotassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide
SMILESCC1=[N+](C)c2cc[c-]cc2C1(C)C.[K+]
InChIInChI=1S/C12H15N.K/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h6-8H,1-4H3;/q;+1
InChIKeyPLPXNRNPXZDUIG-UHFFFAOYSA-N
MW212.36 g/mol
LogP-0.48
Rot. Bonds

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

potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide (PubChem CID 167423280) has the molecular formula C12H15KN+ and a molecular weight of 212.36 g/mol. Its IUPAC name is potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide.

Molecular Properties

Compound Namepotassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide
PubChem CID167423280
Molecular FormulaC12H15KN+
Molecular Weight212.36 g/mol
Exact Mass212.08
IUPAC Namepotassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide
SMILESCC1=[N+](C)c2cc[c-]cc2C1(C)C.[K+]
InChIInChI=1S/C12H15N.K/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h6-8H,1-4H3;/q;+1
InChIKeyPLPXNRNPXZDUIG-UHFFFAOYSA-N
XLogP-0.48
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 5-0.48
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'}

Analyze potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
sodium 2,3,3-trimethyl-5H-indol-5-ide
CID 58567027
2,3,3-Trimethyl-6,7-dihydroindole
CID 89133198
2,3,3-Trimethylcyclohepta[b]pyrrole
CID 91566159
potassium 1-ethyl-2,3,3-trimethyl-5H-indol-1-ium-5-ide
CID 140660238
1-Methyl-2-methylideneindol-1-ium
CID 140825057
1,2,3,3-Tetramethyl-5,6-dihydroindol-1-ium
CID 143434364
5-Ethenyl-2,3,3,4-tetramethylpyrrole
CID 147156895
2-tert-butyl-6H-cyclopenta[b]pyridine
CID 157837744
potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide
CID 158306667
4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole
CID 171836951
6-methyl-6aH-pyrido[2,1-a]isoindol-5-ium
CID 172474511

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide?
The IUPAC name of potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide (CID 167423280) is potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide.
What is the SMILES notation for potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide?
The canonical SMILES for potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide is CC1=[N+](C)c2cc[c-]cc2C1(C)C.[K+].
What is the InChIKey of potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide?
The InChIKey is PLPXNRNPXZDUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.K/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h6-8H,1-4H3;/q;+1.
What are the key properties of potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide?
potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide has a molecular weight of 212.36 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide is sourced from PubChem (CID 167423280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).