2H-indol-1-ium

C8H8N+ — CID 91284697

IUPAC2H-indol-1-ium
SMILESC1=c2ccccc2=[NH+]C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-5H,6H2/p+1
InChIKeyKHSACZVQYSVGDJ-UHFFFAOYSA-O
MW118.16 g/mol
LogP-1.82
Rot. Bonds

About 2H-indol-1-ium

2H-indol-1-ium (PubChem CID 91284697) has the molecular formula C8H8N+ and a molecular weight of 118.16 g/mol. Its IUPAC name is 2H-indol-1-ium.

Molecular Properties

Compound Name2H-indol-1-ium
PubChem CID91284697
Molecular FormulaC8H8N+
Molecular Weight118.16 g/mol
Exact Mass118.07
IUPAC Name2H-indol-1-ium
SMILESC1=c2ccccc2=[NH+]C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-5H,6H2/p+1
InChIKeyKHSACZVQYSVGDJ-UHFFFAOYSA-O
XLogP-1.82
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
2-methyl-2H-indole
CID 58371059
2-Methylideneindol-1-ium
CID 59596733
3-(5-fluoro-2H-indol-3-yl)propan-1-amine
CID 124517418
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
3-methyl-2H-indole
CID 20767131
3-ethyl-2H-indole
CID 22086775
2,3-Dihydroquinolin-1-ium
CID 23126746
2H-Cyclopenta[B]pyridine
CID 56972376
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium
CID 59057511
5-but-3-enyl-2H-indole
CID 59072277

Frequently Asked Questions

What is the IUPAC name of 2H-indol-1-ium?
The IUPAC name of 2H-indol-1-ium (CID 91284697) is 2H-indol-1-ium.
What is the SMILES notation for 2H-indol-1-ium?
The canonical SMILES for 2H-indol-1-ium is C1=c2ccccc2=[NH+]C1.
What is the InChIKey of 2H-indol-1-ium?
The InChIKey is KHSACZVQYSVGDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-5H,6H2/p+1.
What are the key properties of 2H-indol-1-ium?
2H-indol-1-ium has a molecular weight of 118.16 g/mol, XLogP of -1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indol-1-ium is sourced from PubChem (CID 91284697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).