8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine

C10H17NO — CID 166984316

IUPAC8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCCOCC12C=CCN1CCC2
InChIInChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h3,5H,2,4,6-9H2,1H3
InChIKeyJGQPCPJZDPSGBT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.43
Rot. Bonds3

About 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine

8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 166984316) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID166984316
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCCOCC12C=CCN1CCC2
InChIInChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h3,5H,2,4,6-9H2,1H3
InChIKeyJGQPCPJZDPSGBT-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 166984316) is 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine is CCOCC12C=CCN1CCC2.
What is the InChIKey of 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is JGQPCPJZDPSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-9-10-5-3-7-11(10)8-4-6-10/h3,5H,2,4,6-9H2,1H3.
What are the key properties of 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 167.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 166984316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).