1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one

C12H16N2O2 — CID 114988724

IUPAC1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(CCOC)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-13-11-9-5-3-4-6-10(9)14(12(11)15)7-8-16-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyUTKOHCCKMRWFQY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.94
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one

1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one (PubChem CID 114988724) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one
PubChem CID114988724
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(CCOC)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-13-11-9-5-3-4-6-10(9)14(12(11)15)7-8-16-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyUTKOHCCKMRWFQY-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one (CID 114988724) is 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one is CNC1C(=O)N(CCOC)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one?
The InChIKey is UTKOHCCKMRWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-11-9-5-3-4-6-10(9)14(12(11)15)7-8-16-2/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one?
1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 114988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).