1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole

C13H19NO — CID 106458136

IUPAC1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
SMILESCCCOCCC1NCc2ccccc21
InChIInChI=1S/C13H19NO/c1-2-8-15-9-7-13-12-6-4-3-5-11(12)10-14-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyREKNEINQQYFYQU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole

1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole (PubChem CID 106458136) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
PubChem CID106458136
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
SMILESCCCOCCC1NCc2ccccc21
InChIInChI=1S/C13H19NO/c1-2-8-15-9-7-13-12-6-4-3-5-11(12)10-14-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyREKNEINQQYFYQU-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole (CID 106458136) is 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole is CCCOCCC1NCc2ccccc21.
What is the InChIKey of 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is REKNEINQQYFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-8-15-9-7-13-12-6-4-3-5-11(12)10-14-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole?
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 205.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 106458136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).