8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine

C11H17NO — CID 163656566

IUPAC8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine
SMILESCC(C)OCC12C=CCN1CC=C2
InChIInChI=1S/C11H17NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3-6,10H,7-9H2,1-2H3
InChIKeyDPHRMIOPOPYTPL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.59
Rot. Bonds3

About 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine

8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine (PubChem CID 163656566) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine
PubChem CID163656566
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine
SMILESCC(C)OCC12C=CCN1CC=C2
InChIInChI=1S/C11H17NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3-6,10H,7-9H2,1-2H3
InChIKeyDPHRMIOPOPYTPL-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine?
The IUPAC name of 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine (CID 163656566) is 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine?
The canonical SMILES for 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine is CC(C)OCC12C=CCN1CC=C2.
What is the InChIKey of 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine?
The InChIKey is DPHRMIOPOPYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine?
8-(propan-2-yloxymethyl)-3,5-dihydropyrrolizine has a molecular weight of 179.26 g/mol, XLogP of 1.59, 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)-3,5-dihydropyrrolizine is sourced from PubChem (CID 163656566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).