3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one

C13H18N2O2 — CID 605729

IUPAC3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)C(C)(CCN)C(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXEEBADQXIMNBQG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one

3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one (PubChem CID 605729) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one
PubChem CID605729
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)C(C)(CCN)C(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXEEBADQXIMNBQG-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one (CID 605729) is 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one is COc1ccc2c(c1)C(C)(CCN)C(=O)N2C.
What is the InChIKey of 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one?
The InChIKey is XEEBADQXIMNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(6-7-14)10-8-9(17-3)4-5-11(10)15(2)12(13)16/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one?
3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-methoxy-1,3-dimethylindol-2-one is sourced from PubChem (CID 605729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).