8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine

C11H19NO — CID 162730788

IUPAC8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12C=CCN1CCC2
InChIInChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3,5,10H,4,6-9H2,1-2H3
InChIKeySKEMHSJPQADTOS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds3

About 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine

8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 162730788) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID162730788
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12C=CCN1CCC2
InChIInChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3,5,10H,4,6-9H2,1-2H3
InChIKeySKEMHSJPQADTOS-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
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-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 162730788) is 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is CC(C)OCC12C=CCN1CCC2.
What is the InChIKey of 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is SKEMHSJPQADTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3,5,10H,4,6-9H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 162730788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).