5-aminoindol-2-one

C8H6N2O — CID 53423911

IUPAC5-aminoindol-2-one
SMILESNc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C8H6N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H,9H2
InChIKeyKGUNAWIEJKEGSJ-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.79
Rot. Bonds

About 5-aminoindol-2-one

5-aminoindol-2-one (PubChem CID 53423911) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-aminoindol-2-one.

Molecular Properties

Compound Name5-aminoindol-2-one
PubChem CID53423911
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name5-aminoindol-2-one
SMILESNc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C8H6N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H,9H2
InChIKeyKGUNAWIEJKEGSJ-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 5-aminoindol-2-one?
The IUPAC name of 5-aminoindol-2-one (CID 53423911) is 5-aminoindol-2-one.
What is the SMILES notation for 5-aminoindol-2-one?
The canonical SMILES for 5-aminoindol-2-one is Nc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-aminoindol-2-one?
The InChIKey is KGUNAWIEJKEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H,9H2.
What are the key properties of 5-aminoindol-2-one?
5-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 5-aminoindol-2-one is sourced from PubChem (CID 53423911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).