1,2,3,4-tetramethyl-2H-indol-1-ium iodide

C12H16IN — CID 87401852

IUPAC1,2,3,4-tetramethyl-2H-indol-1-ium iodide
SMILESCC1=c2c(C)cccc2=[N+](C)C1C.[I-]
InChIInChI=1S/C12H16N.HI/c1-8-6-5-7-11-12(8)9(2)10(3)13(11)4;/h5-7,10H,1-4H3;1H/q+1;/p-1
InChIKeyPEODAOJZJOLPTD-UHFFFAOYSA-M
MW301.17 g/mol
LogP-2.31
Rot. Bonds

About 1,2,3,4-tetramethyl-2H-indol-1-ium iodide

1,2,3,4-tetramethyl-2H-indol-1-ium iodide (PubChem CID 87401852) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-2H-indol-1-ium iodide.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-2H-indol-1-ium iodide
PubChem CID87401852
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name1,2,3,4-tetramethyl-2H-indol-1-ium iodide
SMILESCC1=c2c(C)cccc2=[N+](C)C1C.[I-]
InChIInChI=1S/C12H16N.HI/c1-8-6-5-7-11-12(8)9(2)10(3)13(11)4;/h5-7,10H,1-4H3;1H/q+1;/p-1
InChIKeyPEODAOJZJOLPTD-UHFFFAOYSA-M
XLogP-2.31
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 5-2.31
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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Related Compounds

2-methyl-2H-indole
CID 58371059
7-methyl-2H-indole
CID 13640031
2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684134
3-methyl-2H-indole
CID 20767131
5-but-3-enyl-2H-indole
CID 59072277
2,3-dimethyl-7aH-indole
CID 59099535
1,7-dimethyl-2H-indol-1-ium
CID 59175924
1,4-dimethyl-2H-indol-1-ium
CID 60119061
2-methyl-7aH-indole
CID 68184817
5-ethyl-2H-indole
CID 68254631
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
5-methyl-2H-indole
CID 89296529

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-2H-indol-1-ium iodide?
The IUPAC name of 1,2,3,4-tetramethyl-2H-indol-1-ium iodide (CID 87401852) is 1,2,3,4-tetramethyl-2H-indol-1-ium iodide.
What is the SMILES notation for 1,2,3,4-tetramethyl-2H-indol-1-ium iodide?
The canonical SMILES for 1,2,3,4-tetramethyl-2H-indol-1-ium iodide is CC1=c2c(C)cccc2=[N+](C)C1C.[I-].
What is the InChIKey of 1,2,3,4-tetramethyl-2H-indol-1-ium iodide?
The InChIKey is PEODAOJZJOLPTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N.HI/c1-8-6-5-7-11-12(8)9(2)10(3)13(11)4;/h5-7,10H,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,2,3,4-tetramethyl-2H-indol-1-ium iodide?
1,2,3,4-tetramethyl-2H-indol-1-ium iodide has a molecular weight of 301.17 g/mol, XLogP of -2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-2H-indol-1-ium iodide is sourced from PubChem (CID 87401852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).