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

C10H14N4O — CID 62480998

IUPAC5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
SMILESNCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C10H14N4O/c11-1-2-13-9-5-8-6(3-7(9)12)4-10(15)14-8/h3,5,13H,1-2,4,11-12H2,(H,14,15)
InChIKeyVATLXWAYOHDXBE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.13
Rot. Bonds3

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

5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one (PubChem CID 62480998) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
PubChem CID62480998
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
SMILESNCCNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C10H14N4O/c11-1-2-13-9-5-8-6(3-7(9)12)4-10(15)14-8/h3,5,13H,1-2,4,11-12H2,(H,14,15)
InChIKeyVATLXWAYOHDXBE-UHFFFAOYSA-N
XLogP0.13
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.13
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-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-amino-6-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43383163
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
5-amino-6-(3-phenylpropylamino)-1,3-dihydroindol-2-one
CID 60905011
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 106324761
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one (CID 62480998) is 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one is NCCNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one?
The InChIKey is VATLXWAYOHDXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-1-2-13-9-5-8-6(3-7(9)12)4-10(15)14-8/h3,5,13H,1-2,4,11-12H2,(H,14,15).
What are the key properties of 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one?
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62480998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).