1,2,2,3-tetramethyl-3H-indole;hydroiodide

C12H18IN — CID 174550644

IUPAC1,2,2,3-tetramethyl-3H-indole;hydroiodide
SMILESCC1c2ccccc2N(C)C1(C)C.I
InChIInChI=1S/C12H17N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-9H,1-4H3;1H
InChIKeyRJTZQPFNUSBXFW-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.64
Rot. Bonds

About 1,2,2,3-tetramethyl-3H-indole;hydroiodide

1,2,2,3-tetramethyl-3H-indole;hydroiodide (PubChem CID 174550644) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-3H-indole;hydroiodide.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-3H-indole;hydroiodide
PubChem CID174550644
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name1,2,2,3-tetramethyl-3H-indole;hydroiodide
SMILESCC1c2ccccc2N(C)C1(C)C.I
InChIInChI=1S/C12H17N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-9H,1-4H3;1H
InChIKeyRJTZQPFNUSBXFW-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-3H-indole;hydroiodide?
The IUPAC name of 1,2,2,3-tetramethyl-3H-indole;hydroiodide (CID 174550644) is 1,2,2,3-tetramethyl-3H-indole;hydroiodide.
What is the SMILES notation for 1,2,2,3-tetramethyl-3H-indole;hydroiodide?
The canonical SMILES for 1,2,2,3-tetramethyl-3H-indole;hydroiodide is CC1c2ccccc2N(C)C1(C)C.I.
What is the InChIKey of 1,2,2,3-tetramethyl-3H-indole;hydroiodide?
The InChIKey is RJTZQPFNUSBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.HI/c1-9-10-7-5-6-8-11(10)13(4)12(9,2)3;/h5-9H,1-4H3;1H.
What are the key properties of 1,2,2,3-tetramethyl-3H-indole;hydroiodide?
1,2,2,3-tetramethyl-3H-indole;hydroiodide has a molecular weight of 303.19 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-3H-indole;hydroiodide is sourced from PubChem (CID 174550644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).