3-ethenyl-3,5-diethyl-4H-pyridine

C11H17N — CID 70631579

IUPAC3-ethenyl-3,5-diethyl-4H-pyridine
SMILESC=CC1(CC)C=NC=C(CC)C1
InChIInChI=1S/C11H17N/c1-4-10-7-11(5-2,6-3)9-12-8-10/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyUNSCMJRGUQJZIV-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds3

About 3-ethenyl-3,5-diethyl-4H-pyridine

3-ethenyl-3,5-diethyl-4H-pyridine (PubChem CID 70631579) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-ethenyl-3,5-diethyl-4H-pyridine.

Molecular Properties

Compound Name3-ethenyl-3,5-diethyl-4H-pyridine
PubChem CID70631579
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-ethenyl-3,5-diethyl-4H-pyridine
SMILESC=CC1(CC)C=NC=C(CC)C1
InChIInChI=1S/C11H17N/c1-4-10-7-11(5-2,6-3)9-12-8-10/h5,8-9H,2,4,6-7H2,1,3H3
InChIKeyUNSCMJRGUQJZIV-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
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 3-ethenyl-3,5-diethyl-4H-pyridine?
The IUPAC name of 3-ethenyl-3,5-diethyl-4H-pyridine (CID 70631579) is 3-ethenyl-3,5-diethyl-4H-pyridine.
What is the SMILES notation for 3-ethenyl-3,5-diethyl-4H-pyridine?
The canonical SMILES for 3-ethenyl-3,5-diethyl-4H-pyridine is C=CC1(CC)C=NC=C(CC)C1.
What is the InChIKey of 3-ethenyl-3,5-diethyl-4H-pyridine?
The InChIKey is UNSCMJRGUQJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-7-11(5-2,6-3)9-12-8-10/h5,8-9H,2,4,6-7H2,1,3H3.
What are the key properties of 3-ethenyl-3,5-diethyl-4H-pyridine?
3-ethenyl-3,5-diethyl-4H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,5-diethyl-4H-pyridine is sourced from PubChem (CID 70631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).