1-ethyl-7aH-indol-1-ium

C10H12N+ — CID 155692510

IUPAC1-ethyl-7aH-indol-1-ium
SMILESCC[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C10H12N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-8,10H,2H2,1H3/q+1
InChIKeyYFQMBVGUEKONKX-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.52
Rot. Bonds1

About 1-ethyl-7aH-indol-1-ium

1-ethyl-7aH-indol-1-ium (PubChem CID 155692510) has the molecular formula C10H12N+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-ethyl-7aH-indol-1-ium.

Molecular Properties

Compound Name1-ethyl-7aH-indol-1-ium
PubChem CID155692510
Molecular FormulaC10H12N+
Molecular Weight146.21 g/mol
Exact Mass146.10
IUPAC Name1-ethyl-7aH-indol-1-ium
SMILESCC[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C10H12N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-8,10H,2H2,1H3/q+1
InChIKeyYFQMBVGUEKONKX-UHFFFAOYSA-N
XLogP1.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7aH-indole
CID 20614426
Diethylideneaniline
CID 70417807
7aH-cyclopenta[b]pyridine
CID 16685899
9,9a-dihydro-1H-pyrido[1,2-a]indol-5-ium
CID 20312270
1,2-Dimethyl-5,7a-dihydropyrrolo[2,3-c]pyridine
CID 54026924
6-tert-butyl-8aH-indolizin-4-ium
CID 59125443
7-methyl-6H-cyclopenta[b]pyridine
CID 59944751
2-methyl-7aH-indole
CID 68184817
1,2,3,4-tetramethyl-2H-indol-1-ium iodide
CID 87401852
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
4-methyl-7aH-indole
CID 89776369
N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
CID 91253432

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7aH-indol-1-ium?
The IUPAC name of 1-ethyl-7aH-indol-1-ium (CID 155692510) is 1-ethyl-7aH-indol-1-ium.
What is the SMILES notation for 1-ethyl-7aH-indol-1-ium?
The canonical SMILES for 1-ethyl-7aH-indol-1-ium is CC[N+]1=CC=C2C=CC=CC21.
What is the InChIKey of 1-ethyl-7aH-indol-1-ium?
The InChIKey is YFQMBVGUEKONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-8,10H,2H2,1H3/q+1.
What are the key properties of 1-ethyl-7aH-indol-1-ium?
1-ethyl-7aH-indol-1-ium has a molecular weight of 146.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7aH-indol-1-ium is sourced from PubChem (CID 155692510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).