(2-oxo-1,3-dihydroindol-5-yl)methylazanium

C9H11N2O+ — CID 25324745

IUPAC(2-oxo-1,3-dihydroindol-5-yl)methylazanium
SMILES[NH3+]Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H10N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4-5,10H2,(H,11,12)/p+1
InChIKeyYRYLTTPCTDJAMT-UHFFFAOYSA-O
MW163.20 g/mol
LogP-0.08
Rot. Bonds1

About (2-oxo-1,3-dihydroindol-5-yl)methylazanium

(2-oxo-1,3-dihydroindol-5-yl)methylazanium (PubChem CID 25324745) has the molecular formula C9H11N2O+ and a molecular weight of 163.20 g/mol. Its IUPAC name is (2-oxo-1,3-dihydroindol-5-yl)methylazanium.

Molecular Properties

Compound Name(2-oxo-1,3-dihydroindol-5-yl)methylazanium
PubChem CID25324745
Molecular FormulaC9H11N2O+
Molecular Weight163.20 g/mol
Exact Mass163.09
IUPAC Name(2-oxo-1,3-dihydroindol-5-yl)methylazanium
SMILES[NH3+]Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H10N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4-5,10H2,(H,11,12)/p+1
InChIKeyYRYLTTPCTDJAMT-UHFFFAOYSA-O
XLogP-0.08
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dihydroindol-5-yl)methylazanium?
The IUPAC name of (2-oxo-1,3-dihydroindol-5-yl)methylazanium (CID 25324745) is (2-oxo-1,3-dihydroindol-5-yl)methylazanium.
What is the SMILES notation for (2-oxo-1,3-dihydroindol-5-yl)methylazanium?
The canonical SMILES for (2-oxo-1,3-dihydroindol-5-yl)methylazanium is [NH3+]Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of (2-oxo-1,3-dihydroindol-5-yl)methylazanium?
The InChIKey is YRYLTTPCTDJAMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4-5,10H2,(H,11,12)/p+1.
What are the key properties of (2-oxo-1,3-dihydroindol-5-yl)methylazanium?
(2-oxo-1,3-dihydroindol-5-yl)methylazanium has a molecular weight of 163.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dihydroindol-5-yl)methylazanium is sourced from PubChem (CID 25324745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).