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

C12H17N3O2 — CID 113491919

IUPAC5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
SMILESCCC(O)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-2-8(16)6-14-11-5-10-7(3-9(11)13)4-12(17)15-10/h3,5,8,14,16H,2,4,6,13H2,1H3,(H,15,17)
InChIKeyKMZOAHLIGNHZMZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds4

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

5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one (PubChem CID 113491919) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
PubChem CID113491919
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
SMILESCCC(O)CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-2-8(16)6-14-11-5-10-7(3-9(11)13)4-12(17)15-10/h3,5,8,14,16H,2,4,6,13H2,1H3,(H,15,17)
InChIKeyKMZOAHLIGNHZMZ-UHFFFAOYSA-N
XLogP0.95
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
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-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N,2,2-trimethylpropanamide
CID 106275365

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one (CID 113491919) is 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one is CCC(O)CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one?
The InChIKey is KMZOAHLIGNHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-8(16)6-14-11-5-10-7(3-9(11)13)4-12(17)15-10/h3,5,8,14,16H,2,4,6,13H2,1H3,(H,15,17).
What are the key properties of 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one?
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 113491919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).