4-ethenyl-3,4-dihydropyridine

C7H9N — CID 123963139

IUPAC4-ethenyl-3,4-dihydropyridine
SMILESC=CC1C=CN=CC1
InChIInChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-3,5-7H,1,4H2
InChIKeyQUYZLEBSUPCCHJ-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.78
Rot. Bonds1

About 4-ethenyl-3,4-dihydropyridine

4-ethenyl-3,4-dihydropyridine (PubChem CID 123963139) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4-ethenyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethenyl-3,4-dihydropyridine
PubChem CID123963139
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4-ethenyl-3,4-dihydropyridine
SMILESC=CC1C=CN=CC1
InChIInChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-3,5-7H,1,4H2
InChIKeyQUYZLEBSUPCCHJ-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.78
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-ethenyl-3,4-dihydropyridine?
The IUPAC name of 4-ethenyl-3,4-dihydropyridine (CID 123963139) is 4-ethenyl-3,4-dihydropyridine.
What is the SMILES notation for 4-ethenyl-3,4-dihydropyridine?
The canonical SMILES for 4-ethenyl-3,4-dihydropyridine is C=CC1C=CN=CC1.
What is the InChIKey of 4-ethenyl-3,4-dihydropyridine?
The InChIKey is QUYZLEBSUPCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-3,5-7H,1,4H2.
What are the key properties of 4-ethenyl-3,4-dihydropyridine?
4-ethenyl-3,4-dihydropyridine has a molecular weight of 107.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,4-dihydropyridine is sourced from PubChem (CID 123963139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).