1-ethyl-3,5-dihydro-2H-indol-1-ium

C10H14N+ — CID 122386247

IUPAC1-ethyl-3,5-dihydro-2H-indol-1-ium
SMILESCC[N+]1=C2C=CCC=C2CC1
InChIInChI=1S/C10H14N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h4-6H,2-3,7-8H2,1H3/q+1
InChIKeyHNAWWZXSZRCFET-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.75
Rot. Bonds1

About 1-ethyl-3,5-dihydro-2H-indol-1-ium

1-ethyl-3,5-dihydro-2H-indol-1-ium (PubChem CID 122386247) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-ethyl-3,5-dihydro-2H-indol-1-ium.

Molecular Properties

Compound Name1-ethyl-3,5-dihydro-2H-indol-1-ium
PubChem CID122386247
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name1-ethyl-3,5-dihydro-2H-indol-1-ium
SMILESCC[N+]1=C2C=CCC=C2CC1
InChIInChI=1S/C10H14N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h4-6H,2-3,7-8H2,1H3/q+1
InChIKeyHNAWWZXSZRCFET-UHFFFAOYSA-N
XLogP1.75
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.75
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

5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684134
2,3-dimethyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684135
6,8-dihydro-7-methyl-2H-pyrrolo[3,4-e]benzimidazole
CID 19425983
N,N-dipropyl-4,5,6,7-tetrahydro-2H-indol-5-amine
CID 23463958
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
6-Propan-2-yl-2,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 57531003
1,4-dimethyl-2H-indol-1-ium
CID 60119061
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755
1-methyl-4,6,8,9-tetrahydro-3H-pyrido[2,1-a]isoindol-5-ium
CID 91110202
2-Methyl-2-azoniabicyclo[2.2.1]hepta-1,4(7)-diene
CID 91142984
(4Z)-5-[(Z)-prop-1-enyl]-4-propylidene-2,3-dihydropyrrole
CID 91278108

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dihydro-2H-indol-1-ium?
The IUPAC name of 1-ethyl-3,5-dihydro-2H-indol-1-ium (CID 122386247) is 1-ethyl-3,5-dihydro-2H-indol-1-ium.
What is the SMILES notation for 1-ethyl-3,5-dihydro-2H-indol-1-ium?
The canonical SMILES for 1-ethyl-3,5-dihydro-2H-indol-1-ium is CC[N+]1=C2C=CCC=C2CC1.
What is the InChIKey of 1-ethyl-3,5-dihydro-2H-indol-1-ium?
The InChIKey is HNAWWZXSZRCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h4-6H,2-3,7-8H2,1H3/q+1.
What are the key properties of 1-ethyl-3,5-dihydro-2H-indol-1-ium?
1-ethyl-3,5-dihydro-2H-indol-1-ium has a molecular weight of 148.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dihydro-2H-indol-1-ium is sourced from PubChem (CID 122386247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).