3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one

C13H16N2O4 — CID 137187025

IUPAC3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one
SMILESCCOC(CO)CON=C1C(=O)Nc2ccccc21
InChIInChI=1S/C13H16N2O4/c1-2-18-9(7-16)8-19-15-12-10-5-3-4-6-11(10)14-13(12)17/h3-6,9,16H,2,7-8H2,1H3,(H,14,15,17)
InChIKeyMEOJKZDWYGVJNG-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.76
Rot. Bonds6

About 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one

3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one (PubChem CID 137187025) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one
PubChem CID137187025
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one
SMILESCCOC(CO)CON=C1C(=O)Nc2ccccc21
InChIInChI=1S/C13H16N2O4/c1-2-18-9(7-16)8-19-15-12-10-5-3-4-6-11(10)14-13(12)17/h3-6,9,16H,2,7-8H2,1H3,(H,14,15,17)
InChIKeyMEOJKZDWYGVJNG-UHFFFAOYSA-N
XLogP0.76
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one?
The IUPAC name of 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one (CID 137187025) is 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one?
The canonical SMILES for 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one is CCOC(CO)CON=C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one?
The InChIKey is MEOJKZDWYGVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-18-9(7-16)8-19-15-12-10-5-3-4-6-11(10)14-13(12)17/h3-6,9,16H,2,7-8H2,1H3,(H,14,15,17).
What are the key properties of 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one?
3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one is sourced from PubChem (CID 137187025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).