5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one

C11H14N2O2 — CID 91664637

IUPAC5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C11H14N2O2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7,12H2,1H3
InChIKeyRXMAGKZNMHWDRZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.87
Rot. Bonds3

About 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one

5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one (PubChem CID 91664637) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
PubChem CID91664637
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C11H14N2O2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7,12H2,1H3
InChIKeyRXMAGKZNMHWDRZ-UHFFFAOYSA-N
XLogP0.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one?
The IUPAC name of 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one (CID 91664637) is 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one?
The canonical SMILES for 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one is COCCN1Cc2cc(N)ccc2C1=O.
What is the InChIKey of 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one?
The InChIKey is RXMAGKZNMHWDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one?
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one has a molecular weight of 206.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one is sourced from PubChem (CID 91664637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).