1,2,2,3-tetramethylindol-1-ium;hydroiodide

C12H17IN+ — CID 175482938

IUPAC1,2,2,3-tetramethylindol-1-ium;hydroiodide
SMILESCC1=c2ccccc2=[N+](C)C1(C)C.I
InChIInChI=1S/C12H16N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-8H,1-4H3;1H/q+1;
InChIKeyPLIYEZZGRADRLW-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.39
Rot. Bonds

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

1,2,2,3-tetramethylindol-1-ium;hydroiodide (PubChem CID 175482938) has the molecular formula C12H17IN+ and a molecular weight of 302.18 g/mol. Its IUPAC name is 1,2,2,3-tetramethylindol-1-ium;hydroiodide.

Molecular Properties

Compound Name1,2,2,3-tetramethylindol-1-ium;hydroiodide
PubChem CID175482938
Molecular FormulaC12H17IN+
Molecular Weight302.18 g/mol
Exact Mass302.04
IUPAC Name1,2,2,3-tetramethylindol-1-ium;hydroiodide
SMILESCC1=c2ccccc2=[N+](C)C1(C)C.I
InChIInChI=1S/C12H16N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-8H,1-4H3;1H/q+1;
InChIKeyPLIYEZZGRADRLW-UHFFFAOYSA-N
XLogP1.39
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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;hydroiodide?
The IUPAC name of 1,2,2,3-tetramethylindol-1-ium;hydroiodide (CID 175482938) is 1,2,2,3-tetramethylindol-1-ium;hydroiodide.
What is the SMILES notation for 1,2,2,3-tetramethylindol-1-ium;hydroiodide?
The canonical SMILES for 1,2,2,3-tetramethylindol-1-ium;hydroiodide is CC1=c2ccccc2=[N+](C)C1(C)C.I.
What is the InChIKey of 1,2,2,3-tetramethylindol-1-ium;hydroiodide?
The InChIKey is PLIYEZZGRADRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-8H,1-4H3;1H/q+1;.
What are the key properties of 1,2,2,3-tetramethylindol-1-ium;hydroiodide?
1,2,2,3-tetramethylindol-1-ium;hydroiodide has a molecular weight of 302.18 g/mol, XLogP of 1.39, 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;hydroiodide is sourced from PubChem (CID 175482938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).