3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one

C12H16N2O2 — CID 63369685

IUPAC3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one
SMILESCC(C)(C)Oc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-7-4-5-8-9(6-7)14-11(15)10(8)13/h4-6,10H,13H2,1-3H3,(H,14,15)
InChIKeyRHAGKSVVZZDGNL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.82
Rot. Bonds1

About 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one

3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 63369685) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID63369685
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one
SMILESCC(C)(C)Oc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-7-4-5-8-9(6-7)14-11(15)10(8)13/h4-6,10H,13H2,1-3H3,(H,14,15)
InChIKeyRHAGKSVVZZDGNL-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one (CID 63369685) is 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one is CC(C)(C)Oc1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is RHAGKSVVZZDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)16-7-4-5-8-9(6-7)14-11(15)10(8)13/h4-6,10H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one?
3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).