2,3-dihydro-1H-indol-3-yl(trimethyl)azanium

C11H17N2+ — CID 174459262

IUPAC2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1CNc2ccccc21
InChIInChI=1S/C11H17N2/c1-13(2,3)11-8-12-10-7-5-4-6-9(10)11/h4-7,11-12H,8H2,1-3H3/q+1
InChIKeyMGVDLNRGTYLAOP-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.86
Rot. Bonds1

About 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium

2,3-dihydro-1H-indol-3-yl(trimethyl)azanium (PubChem CID 174459262) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
PubChem CID174459262
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1CNc2ccccc21
InChIInChI=1S/C11H17N2/c1-13(2,3)11-8-12-10-7-5-4-6-9(10)11/h4-7,11-12H,8H2,1-3H3/q+1
InChIKeyMGVDLNRGTYLAOP-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 102145962
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
3-hydroperoxy-2,3-dihydro-1H-indole
CID 119084044
8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
CID 154876558
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
CID 140807069
CID 140807069

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium (CID 174459262) is 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium is C[N+](C)(C)C1CNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium?
The InChIKey is MGVDLNRGTYLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2/c1-13(2,3)11-8-12-10-7-5-4-6-9(10)11/h4-7,11-12H,8H2,1-3H3/q+1.
What are the key properties of 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium?
2,3-dihydro-1H-indol-3-yl(trimethyl)azanium has a molecular weight of 177.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl(trimethyl)azanium is sourced from PubChem (CID 174459262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).