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

C11H19NO — CID 170726733

IUPAC8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C(C)OCC12CCCN1CCC2
InChIInChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h1,3-9H2,2H3
InChIKeyQQZJKQRSPXZRIG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.16
Rot. Bonds3

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

8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170726733) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170726733
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=C(C)OCC12CCCN1CCC2
InChIInChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h1,3-9H2,2H3
InChIKeyQQZJKQRSPXZRIG-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 170726733) is 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is C=C(C)OCC12CCCN1CCC2.
What is the InChIKey of 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QQZJKQRSPXZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11/h1,3-9H2,2H3.
What are the key properties of 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 181.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170726733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).