2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

C11H17N — CID 2832191

IUPAC2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCC1C=CCC(CC=C)N1
InChIInChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2
InChIKeyGAYQJEALDMVJON-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.43
Rot. Bonds4

About 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 2832191) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID2832191
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCC1C=CCC(CC=C)N1
InChIInChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2
InChIKeyGAYQJEALDMVJON-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 2832191) is 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is C=CCC1C=CCC(CC=C)N1.
What is the InChIKey of 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is GAYQJEALDMVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-6-10-8-5-9-11(12-10)7-4-2/h3-5,8,10-12H,1-2,6-7,9H2.
What are the key properties of 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 2832191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).