1,2,2,3-tetramethylindol-1-ium

C12H16N+ — CID 175482939

IUPAC1,2,2,3-tetramethylindol-1-ium
SMILESCC1=c2ccccc2=[N+](C)C1(C)C
InChIInChI=1S/C12H16N/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3/h5-8H,1-4H3/q+1
InChIKeyRPWZODJRYFPYPL-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.77
Rot. Bonds

About 1,2,2,3-tetramethylindol-1-ium

1,2,2,3-tetramethylindol-1-ium (PubChem CID 175482939) has the molecular formula C12H16N+ and a molecular weight of 174.27 g/mol. Its IUPAC name is 1,2,2,3-tetramethylindol-1-ium.

Molecular Properties

Compound Name1,2,2,3-tetramethylindol-1-ium
PubChem CID175482939
Molecular FormulaC12H16N+
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name1,2,2,3-tetramethylindol-1-ium
SMILESCC1=c2ccccc2=[N+](C)C1(C)C
InChIInChI=1S/C12H16N/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3/h5-8H,1-4H3/q+1
InChIKeyRPWZODJRYFPYPL-UHFFFAOYSA-N
XLogP0.77
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylindol-1-ium?
The IUPAC name of 1,2,2,3-tetramethylindol-1-ium (CID 175482939) is 1,2,2,3-tetramethylindol-1-ium.
What is the SMILES notation for 1,2,2,3-tetramethylindol-1-ium?
The canonical SMILES for 1,2,2,3-tetramethylindol-1-ium is CC1=c2ccccc2=[N+](C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylindol-1-ium?
The InChIKey is RPWZODJRYFPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3/h5-8H,1-4H3/q+1.
What are the key properties of 1,2,2,3-tetramethylindol-1-ium?
1,2,2,3-tetramethylindol-1-ium has a molecular weight of 174.27 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylindol-1-ium is sourced from PubChem (CID 175482939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).