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

C13H19N — CID 3143282

IUPAC4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCC1C=C(C=C)CC(CC=C)N1
InChIInChI=1S/C13H19N/c1-4-7-12-9-11(6-3)10-13(14-12)8-5-2/h4-6,9,12-14H,1-3,7-8,10H2
InChIKeyKBXHPBIUZZCCJG-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.98
Rot. Bonds5

About 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 3143282) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID3143282
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCC1C=C(C=C)CC(CC=C)N1
InChIInChI=1S/C13H19N/c1-4-7-12-9-11(6-3)10-13(14-12)8-5-2/h4-6,9,12-14H,1-3,7-8,10H2
InChIKeyKBXHPBIUZZCCJG-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.98
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 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 3143282) is 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is C=CCC1C=C(C=C)CC(CC=C)N1.
What is the InChIKey of 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KBXHPBIUZZCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-7-12-9-11(6-3)10-13(14-12)8-5-2/h4-6,9,12-14H,1-3,7-8,10H2.
What are the key properties of 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 189.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 3143282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).