3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one

C13H16N2O3 — CID 102606606

IUPAC3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3COC3)ccc21
InChIInChI=1S/C13H16N2O3/c1-2-14-12-10-4-3-8(18-9-6-17-7-9)5-11(10)15-13(12)16/h3-5,9,12,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyYOAACIVXBUUQQB-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.07
Rot. Bonds4

About 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one

3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one (PubChem CID 102606606) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one
PubChem CID102606606
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3COC3)ccc21
InChIInChI=1S/C13H16N2O3/c1-2-14-12-10-4-3-8(18-9-6-17-7-9)5-11(10)15-13(12)16/h3-5,9,12,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyYOAACIVXBUUQQB-UHFFFAOYSA-N
XLogP1.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one (CID 102606606) is 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OC3COC3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is YOAACIVXBUUQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-14-12-10-4-3-8(18-9-6-17-7-9)5-11(10)15-13(12)16/h3-5,9,12,14H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(oxetan-3-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102606606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).