2-methylindol-2-ylium

C9H8N+ — CID 57054412

IUPAC2-methylindol-2-ylium
SMILESC[C+]1C=c2ccccc2=N1
InChIInChI=1S/C9H8N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3/q+1
InChIKeyYARTYHKUXZCOKM-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.65
Rot. Bonds

About 2-methylindol-2-ylium

2-methylindol-2-ylium (PubChem CID 57054412) has the molecular formula C9H8N+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-methylindol-2-ylium.

Molecular Properties

Compound Name2-methylindol-2-ylium
PubChem CID57054412
Molecular FormulaC9H8N+
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name2-methylindol-2-ylium
SMILESC[C+]1C=c2ccccc2=N1
InChIInChI=1S/C9H8N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3/q+1
InChIKeyYARTYHKUXZCOKM-UHFFFAOYSA-N
XLogP0.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8aH-carbazole
CID 9548747
2,2-Dimethyl-2H-benzimidazole
CID 11435022
2H-Indole
CID 19013146
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
Indole-2-thione
CID 21864376
Cyclopentacarbazole
CID 21887528
2-methyl-2H-indole
CID 58371059
2-Prop-2-enylideneindole
CID 88403583
Trimethyl 2h indol
CID 101318478
2-Methylindolethiol
CID 129741743

Frequently Asked Questions

What is the IUPAC name of 2-methylindol-2-ylium?
The IUPAC name of 2-methylindol-2-ylium (CID 57054412) is 2-methylindol-2-ylium.
What is the SMILES notation for 2-methylindol-2-ylium?
The canonical SMILES for 2-methylindol-2-ylium is C[C+]1C=c2ccccc2=N1.
What is the InChIKey of 2-methylindol-2-ylium?
The InChIKey is YARTYHKUXZCOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3/q+1.
What are the key properties of 2-methylindol-2-ylium?
2-methylindol-2-ylium has a molecular weight of 130.17 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindol-2-ylium is sourced from PubChem (CID 57054412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).