3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one

C12H16N2O2 — CID 82236800

IUPAC3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one
SMILESCCNC1C(=O)N(C)c2cc(OC)ccc21
InChIInChI=1S/C12H16N2O2/c1-4-13-11-9-6-5-8(16-3)7-10(9)14(2)12(11)15/h5-7,11,13H,4H2,1-3H3
InChIKeyZAAOZKPUOVOCIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.32
Rot. Bonds3

About 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one

3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one (PubChem CID 82236800) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one
PubChem CID82236800
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one
SMILESCCNC1C(=O)N(C)c2cc(OC)ccc21
InChIInChI=1S/C12H16N2O2/c1-4-13-11-9-6-5-8(16-3)7-10(9)14(2)12(11)15/h5-7,11,13H,4H2,1-3H3
InChIKeyZAAOZKPUOVOCIC-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one (CID 82236800) is 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one is CCNC1C(=O)N(C)c2cc(OC)ccc21.
What is the InChIKey of 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one?
The InChIKey is ZAAOZKPUOVOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-13-11-9-6-5-8(16-3)7-10(9)14(2)12(11)15/h5-7,11,13H,4H2,1-3H3.
What are the key properties of 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one?
3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82236800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).