5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one

C11H15N3O2 — CID 43498919

IUPAC5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(CO)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H15N3O2/c1-6(5-15)13-10-4-9-7(2-8(10)12)3-11(16)14-9/h2,4,6,13,15H,3,5,12H2,1H3,(H,14,16)
InChIKeyFASJUMQFLPUORA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.56
Rot. Bonds3

About 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one

5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43498919) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43498919
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(CO)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H15N3O2/c1-6(5-15)13-10-4-9-7(2-8(10)12)3-11(16)14-9/h2,4,6,13,15H,3,5,12H2,1H3,(H,14,16)
InChIKeyFASJUMQFLPUORA-UHFFFAOYSA-N
XLogP0.56
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-6-(1-hydroxypropan-2-ylamino)-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

6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
CID 61476410
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one (CID 43498919) is 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one is CC(CO)Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is FASJUMQFLPUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6(5-15)13-10-4-9-7(2-8(10)12)3-11(16)14-9/h2,4,6,13,15H,3,5,12H2,1H3,(H,14,16).
What are the key properties of 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one?
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43498919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).