8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine

C14H25NO — CID 170278680

IUPAC8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C14H25NO/c1-4-6-13-9-14(11-16-12(2)3)7-5-8-15(14)10-13/h4,12-13H,1,5-11H2,2-3H3
InChIKeyAJQJKCFCOBUXNY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds5

About 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine

8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170278680) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170278680
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C14H25NO/c1-4-6-13-9-14(11-16-12(2)3)7-5-8-15(14)10-13/h4,12-13H,1,5-11H2,2-3H3
InChIKeyAJQJKCFCOBUXNY-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
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)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine 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)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 170278680) is 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is C=CCC1CN2CCCC2(COC(C)C)C1.
What is the InChIKey of 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is AJQJKCFCOBUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-13-9-14(11-16-12(2)3)7-5-8-15(14)10-13/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethyl)-2-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170278680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).