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

C12H16ClN — CID 12524874

IUPAC1,2,3,3-tetramethylindol-1-ium chloride
SMILESCC1=[N+](C)c2ccccc2C1(C)C.[Cl-]
InChIInChI=1S/C12H16N.ClH/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1
InChIKeyGXQHIKHECXFUOE-UHFFFAOYSA-M
MW209.72 g/mol
LogP-0.28
Rot. Bonds

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

1,2,3,3-tetramethylindol-1-ium chloride (PubChem CID 12524874) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1,2,3,3-tetramethylindol-1-ium chloride.

Molecular Properties

Compound Name1,2,3,3-tetramethylindol-1-ium chloride
PubChem CID12524874
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1,2,3,3-tetramethylindol-1-ium chloride
SMILESCC1=[N+](C)c2ccccc2C1(C)C.[Cl-]
InChIInChI=1S/C12H16N.ClH/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1
InChIKeyGXQHIKHECXFUOE-UHFFFAOYSA-M
XLogP-0.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 5-0.28
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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Related Compounds

tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
CID 173139340
1,3,3-trimethylindol-1-ium-2-amine
CID 11346035
2,3,3-trimethyl-1-propan-2-ylindol-1-ium
CID 1390106
5-bromo-1,2,3,3-tetramethylindol-1-ium iodide
CID 15476030
1,2,3,3,5-pentamethylindol-1-ium perchlorate
CID 15256919
1-butyl-2,3,3-trimethylindol-1-ium bromide
CID 71698932
1,2,3,3-tetramethyl-6-nitroindol-1-ium
CID 32641137
3,3-dibenzyl-1,2-dimethylindol-1-ium bromide
CID 67387208
1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium
CID 102599862
1,2,3,3-tetramethyl-5-nitroindol-1-ium bromide
CID 69115002
2,3,3-trimethyl-1-propylsulfonylindol-1-ium
CID 69118167
3-(2,3,3-trimethylindol-1-ium-1-yl)propan-1-amine bromide
CID 10424688

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethylindol-1-ium chloride?
The IUPAC name of 1,2,3,3-tetramethylindol-1-ium chloride (CID 12524874) is 1,2,3,3-tetramethylindol-1-ium chloride.
What is the SMILES notation for 1,2,3,3-tetramethylindol-1-ium chloride?
The canonical SMILES for 1,2,3,3-tetramethylindol-1-ium chloride is CC1=[N+](C)c2ccccc2C1(C)C.[Cl-].
What is the InChIKey of 1,2,3,3-tetramethylindol-1-ium chloride?
The InChIKey is GXQHIKHECXFUOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N.ClH/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,2,3,3-tetramethylindol-1-ium chloride?
1,2,3,3-tetramethylindol-1-ium chloride has a molecular weight of 209.72 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethylindol-1-ium chloride is sourced from PubChem (CID 12524874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).