6-(3-aminoanilino)-1,3-dihydroindol-2-one

C14H13N3O — CID 59397049

IUPAC6-(3-aminoanilino)-1,3-dihydroindol-2-one
SMILESNc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1
InChIInChI=1S/C14H13N3O/c15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12/h1-5,7-8,16H,6,15H2,(H,17,18)
InChIKeyIEFHMBNACJXCJG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds2

About 6-(3-aminoanilino)-1,3-dihydroindol-2-one

6-(3-aminoanilino)-1,3-dihydroindol-2-one (PubChem CID 59397049) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(3-aminoanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-aminoanilino)-1,3-dihydroindol-2-one
PubChem CID59397049
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-(3-aminoanilino)-1,3-dihydroindol-2-one
SMILESNc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1
InChIInChI=1S/C14H13N3O/c15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12/h1-5,7-8,16H,6,15H2,(H,17,18)
InChIKeyIEFHMBNACJXCJG-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3-aminoanilino)-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

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-aminoanilino)-1,3-dihydroindol-2-one (CID 59397049) is 6-(3-aminoanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-aminoanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-aminoanilino)-1,3-dihydroindol-2-one is Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1.
What is the InChIKey of 6-(3-aminoanilino)-1,3-dihydroindol-2-one?
The InChIKey is IEFHMBNACJXCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12/h1-5,7-8,16H,6,15H2,(H,17,18).
What are the key properties of 6-(3-aminoanilino)-1,3-dihydroindol-2-one?
6-(3-aminoanilino)-1,3-dihydroindol-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 59397049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).