6-aminoindol-2-one

C8H6N2O — CID 19844541

IUPAC6-aminoindol-2-one
SMILESNc1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C8H6N2O/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H,9H2
InChIKeyJIONHVGTGXHYSY-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.79
Rot. Bonds

About 6-aminoindol-2-one

6-aminoindol-2-one (PubChem CID 19844541) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 6-aminoindol-2-one.

Molecular Properties

Compound Name6-aminoindol-2-one
PubChem CID19844541
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name6-aminoindol-2-one
SMILESNc1ccc2c(c1)=NC(=O)C=2
InChIInChI=1S/C8H6N2O/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H,9H2
InChIKeyJIONHVGTGXHYSY-UHFFFAOYSA-N
XLogP-0.79
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminoindol-2-one?
The IUPAC name of 6-aminoindol-2-one (CID 19844541) is 6-aminoindol-2-one.
What is the SMILES notation for 6-aminoindol-2-one?
The canonical SMILES for 6-aminoindol-2-one is Nc1ccc2c(c1)=NC(=O)C=2.
What is the InChIKey of 6-aminoindol-2-one?
The InChIKey is JIONHVGTGXHYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H,9H2.
What are the key properties of 6-aminoindol-2-one?
6-aminoindol-2-one has a molecular weight of 146.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminoindol-2-one is sourced from PubChem (CID 19844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).