potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide

C11H12KNO3S — CID 158306667

IUPACpotassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide
SMILESCC1=Nc2cc[c-]cc2C1(C)C.O=S(=O)=O.[K+]
InChIInChI=1S/C11H12N.K.O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;;1-4(2)3/h5-7H,1-3H3;;/q-1;+1;
InChIKeyDNCWRCRVINVBJR-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.13
Rot. Bonds

About potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide

potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide (PubChem CID 158306667) has the molecular formula C11H12KNO3S and a molecular weight of 277.39 g/mol. Its IUPAC name is potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide.

Molecular Properties

Compound Namepotassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide
PubChem CID158306667
Molecular FormulaC11H12KNO3S
Molecular Weight277.39 g/mol
Exact Mass277.02
IUPAC Namepotassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide
SMILESCC1=Nc2cc[c-]cc2C1(C)C.O=S(=O)=O.[K+]
InChIInChI=1S/C11H12N.K.O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;;1-4(2)3/h5-7H,1-3H3;;/q-1;+1;
InChIKeyDNCWRCRVINVBJR-UHFFFAOYSA-N
XLogP-1.13
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
potassium 1,2,3,3-tetramethyl-5H-indol-1-ium-5-ide
CID 167423280

Frequently Asked Questions

What is the IUPAC name of potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide?
The IUPAC name of potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide (CID 158306667) is potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide.
What is the SMILES notation for potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide?
The canonical SMILES for potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide is CC1=Nc2cc[c-]cc2C1(C)C.O=S(=O)=O.[K+].
What is the InChIKey of potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide?
The InChIKey is DNCWRCRVINVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N.K.O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;;1-4(2)3/h5-7H,1-3H3;;/q-1;+1;.
What are the key properties of potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide?
potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide has a molecular weight of 277.39 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sulfur trioxide;2,3,3-trimethyl-5H-indol-5-ide is sourced from PubChem (CID 158306667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).