4-but-2-enyl-2-(3-ethenylphenyl)pyridine

C17H17N — CID 155428528

IUPAC4-but-2-enyl-2-(3-ethenylphenyl)pyridine
SMILESC=Cc1cccc(-c2cc(CC=CC)ccn2)c1
InChIInChI=1S/C17H17N/c1-3-5-7-15-10-11-18-17(13-15)16-9-6-8-14(4-2)12-16/h3-6,8-13H,2,7H2,1H3
InChIKeyUYLUBEYBOGJKIW-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.51
Rot. Bonds4

About 4-but-2-enyl-2-(3-ethenylphenyl)pyridine

4-but-2-enyl-2-(3-ethenylphenyl)pyridine (PubChem CID 155428528) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-but-2-enyl-2-(3-ethenylphenyl)pyridine.

Molecular Properties

Compound Name4-but-2-enyl-2-(3-ethenylphenyl)pyridine
PubChem CID155428528
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name4-but-2-enyl-2-(3-ethenylphenyl)pyridine
SMILESC=Cc1cccc(-c2cc(CC=CC)ccn2)c1
InChIInChI=1S/C17H17N/c1-3-5-7-15-10-11-18-17(13-15)16-9-6-8-14(4-2)12-16/h3-6,8-13H,2,7H2,1H3
InChIKeyUYLUBEYBOGJKIW-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.51
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 4-but-2-enyl-2-(3-ethenylphenyl)pyridine?
The IUPAC name of 4-but-2-enyl-2-(3-ethenylphenyl)pyridine (CID 155428528) is 4-but-2-enyl-2-(3-ethenylphenyl)pyridine.
What is the SMILES notation for 4-but-2-enyl-2-(3-ethenylphenyl)pyridine?
The canonical SMILES for 4-but-2-enyl-2-(3-ethenylphenyl)pyridine is C=Cc1cccc(-c2cc(CC=CC)ccn2)c1.
What is the InChIKey of 4-but-2-enyl-2-(3-ethenylphenyl)pyridine?
The InChIKey is UYLUBEYBOGJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-3-5-7-15-10-11-18-17(13-15)16-9-6-8-14(4-2)12-16/h3-6,8-13H,2,7H2,1H3.
What are the key properties of 4-but-2-enyl-2-(3-ethenylphenyl)pyridine?
4-but-2-enyl-2-(3-ethenylphenyl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enyl-2-(3-ethenylphenyl)pyridine is sourced from PubChem (CID 155428528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).