7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine

C11H19NO2 — CID 14701676

IUPAC7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESCCOC(C)OC1=CCN2CCCC12
InChIInChI=1S/C11H19NO2/c1-3-13-9(2)14-11-6-8-12-7-4-5-10(11)12/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyJSLROKGUVHQXAI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine

7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine (PubChem CID 14701676) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine
PubChem CID14701676
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESCCOC(C)OC1=CCN2CCCC12
InChIInChI=1S/C11H19NO2/c1-3-13-9(2)14-11-6-8-12-7-4-5-10(11)12/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyJSLROKGUVHQXAI-UHFFFAOYSA-N
XLogP1.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
CID 143664316
(2S)-2-(cyclopenten-1-yloxymethyl)-1-methylpyrrolidine
CID 102396130

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine (CID 14701676) is 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine is CCOC(C)OC1=CCN2CCCC12.
What is the InChIKey of 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The InChIKey is JSLROKGUVHQXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-13-9(2)14-11-6-8-12-7-4-5-10(11)12/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine?
7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 14701676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).