5,6-diamino-1,3-dihydroindol-2-one

C8H9N3O — CID 22162321

IUPAC5,6-diamino-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N)NC(=O)C2
InChIInChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2,9-10H2,(H,11,12)
InChIKeyVVEJNQMYFCSJIN-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.35
Rot. Bonds

About 5,6-diamino-1,3-dihydroindol-2-one

5,6-diamino-1,3-dihydroindol-2-one (PubChem CID 22162321) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6-diamino-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1,3-dihydroindol-2-one
PubChem CID22162321
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5,6-diamino-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N)NC(=O)C2
InChIInChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2,9-10H2,(H,11,12)
InChIKeyVVEJNQMYFCSJIN-UHFFFAOYSA-N
XLogP0.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-diamino-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3,3-dimethyl-7-(methylamino)-1H-indol-2-one
CID 156024950
5-Amino-2-oxindole
CID 2773213
6-Amino-1,3-dihydro-2H-indol-2-one
CID 590538
5-Amino-1-methyl-2-oxoindoline
CID 22692470
2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enamide
CID 137633554
5-[3-(Trifluoromethyl)anilino]-1,3-dihydroindol-2-one
CID 86342431
5-(4-Methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one
CID 141465869
2H-Indol-2-one, 1,3-dihydro-5-amino-3-methyl-
CID 3074542
7-Aminoindolin-2-one
CID 6423312
1-(2,4-Diamino-5-methylphenyl)pyrrolidin-2-one
CID 1519134
(3E)-3-butylidene-5-(4-methylanilino)-1H-indol-2-one
CID 155547682
7,7-Dimethyl-2-hydroxy-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 15595463

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1,3-dihydroindol-2-one?
The IUPAC name of 5,6-diamino-1,3-dihydroindol-2-one (CID 22162321) is 5,6-diamino-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,6-diamino-1,3-dihydroindol-2-one?
The canonical SMILES for 5,6-diamino-1,3-dihydroindol-2-one is Nc1cc2c(cc1N)NC(=O)C2.
What is the InChIKey of 5,6-diamino-1,3-dihydroindol-2-one?
The InChIKey is VVEJNQMYFCSJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2,9-10H2,(H,11,12).
What are the key properties of 5,6-diamino-1,3-dihydroindol-2-one?
5,6-diamino-1,3-dihydroindol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,3-dihydroindol-2-one is sourced from PubChem (CID 22162321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).