2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride

C10H13ClN2O — CID 21094

IUPAC2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4,8H,5-6,11H2,(H,12,13);1H
InChIKeyTXSFUPUQVBZDAA-UHFFFAOYSA-N
MW212.68 g/mol
LogP-2.64
Rot. Bonds2

About 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride

2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride (PubChem CID 21094) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride
PubChem CID21094
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C10H12N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4,8H,5-6,11H2,(H,12,13);1H
InChIKeyTXSFUPUQVBZDAA-UHFFFAOYSA-N
XLogP-2.64
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
2-(2-Oxoindolin-3-ylidene)malononitrile
CID 244537
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride (CID 21094) is 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride is [Cl-].[NH3+]CCC1C(=O)Nc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride?
The InChIKey is TXSFUPUQVBZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4,8H,5-6,11H2,(H,12,13);1H.
What are the key properties of 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride?
2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride has a molecular weight of 212.68 g/mol, XLogP of -2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-3-yl)ethylazanium chloride is sourced from PubChem (CID 21094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).