(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C11H19N — CID 76850671

IUPAC(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C11H19N/c1-2-5-10-6-3-8-12-9-4-7-11(10)12/h2,10-11H,1,3-9H2/t10-,11+/m0/s1
InChIKeyIBHZSFKPHFWUAT-WDEREUQCSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds2

About (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 76850671) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID76850671
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C11H19N/c1-2-5-10-6-3-8-12-9-4-7-11(10)12/h2,10-11H,1,3-9H2/t10-,11+/m0/s1
InChIKeyIBHZSFKPHFWUAT-WDEREUQCSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 76850671) is (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CC[C@H]1CCCN2CCC[C@H]12.
What is the InChIKey of (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is IBHZSFKPHFWUAT-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19N/c1-2-5-10-6-3-8-12-9-4-7-11(10)12/h2,10-11H,1,3-9H2/t10-,11+/m0/s1.
What are the key properties of (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 165.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 76850671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).