3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol

C11H16N2O2 — CID 117200474

IUPAC3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol
SMILESCCN1CC(CON)c2c(O)cccc21
InChIInChI=1S/C11H16N2O2/c1-2-13-6-8(7-15-12)11-9(13)4-3-5-10(11)14/h3-5,8,14H,2,6-7,12H2,1H3
InChIKeyHQOHQHLEZNTCIN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds3

About 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol

3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol (PubChem CID 117200474) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol
PubChem CID117200474
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol
SMILESCCN1CC(CON)c2c(O)cccc21
InChIInChI=1S/C11H16N2O2/c1-2-13-6-8(7-15-12)11-9(13)4-3-5-10(11)14/h3-5,8,14H,2,6-7,12H2,1H3
InChIKeyHQOHQHLEZNTCIN-UHFFFAOYSA-N
XLogP1.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol?
The IUPAC name of 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol (CID 117200474) is 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol?
The canonical SMILES for 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol is CCN1CC(CON)c2c(O)cccc21.
What is the InChIKey of 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol?
The InChIKey is HQOHQHLEZNTCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-6-8(7-15-12)11-9(13)4-3-5-10(11)14/h3-5,8,14H,2,6-7,12H2,1H3.
What are the key properties of 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol?
3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol has a molecular weight of 208.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 117200474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).