1-ethyl-1-oxido-2,3-dihydroindol-1-ium

C10H13NO — CID 174901111

IUPAC1-ethyl-1-oxido-2,3-dihydroindol-1-ium
SMILESCC[N+]1([O-])CCc2ccccc21
InChIInChI=1S/C10H13NO/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyOUUTXVOLNUCYLJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.07
Rot. Bonds1

About 1-ethyl-1-oxido-2,3-dihydroindol-1-ium

1-ethyl-1-oxido-2,3-dihydroindol-1-ium (PubChem CID 174901111) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-ethyl-1-oxido-2,3-dihydroindol-1-ium.

Molecular Properties

Compound Name1-ethyl-1-oxido-2,3-dihydroindol-1-ium
PubChem CID174901111
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-ethyl-1-oxido-2,3-dihydroindol-1-ium
SMILESCC[N+]1([O-])CCc2ccccc21
InChIInChI=1S/C10H13NO/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyOUUTXVOLNUCYLJ-UHFFFAOYSA-N
XLogP2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-oxido-2,3-dihydroindol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-oxido-2,3-dihydroindol-1-ium?
The IUPAC name of 1-ethyl-1-oxido-2,3-dihydroindol-1-ium (CID 174901111) is 1-ethyl-1-oxido-2,3-dihydroindol-1-ium.
What is the SMILES notation for 1-ethyl-1-oxido-2,3-dihydroindol-1-ium?
The canonical SMILES for 1-ethyl-1-oxido-2,3-dihydroindol-1-ium is CC[N+]1([O-])CCc2ccccc21.
What is the InChIKey of 1-ethyl-1-oxido-2,3-dihydroindol-1-ium?
The InChIKey is OUUTXVOLNUCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-1-oxido-2,3-dihydroindol-1-ium?
1-ethyl-1-oxido-2,3-dihydroindol-1-ium has a molecular weight of 163.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-oxido-2,3-dihydroindol-1-ium is sourced from PubChem (CID 174901111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).