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

C12H16N2O2 — CID 43451909

IUPAC5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
SMILESCC(C)COc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-7(2)6-16-11-5-10-8(3-9(11)13)4-12(15)14-10/h3,5,7H,4,6,13H2,1-2H3,(H,14,15)
InChIKeyFKDDEXOWVADUNH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.80
Rot. Bonds3

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

5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one (PubChem CID 43451909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
PubChem CID43451909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
SMILESCC(C)COc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-7(2)6-16-11-5-10-8(3-9(11)13)4-12(15)14-10/h3,5,7H,4,6,13H2,1-2H3,(H,14,15)
InChIKeyFKDDEXOWVADUNH-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one (CID 43451909) is 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one is CC(C)COc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
The InChIKey is FKDDEXOWVADUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)6-16-11-5-10-8(3-9(11)13)4-12(15)14-10/h3,5,7H,4,6,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).