6-ethenyl-1,2-dihydropyridine

C7H9N — CID 5246386

IUPAC6-ethenyl-1,2-dihydropyridine
SMILESC=CC1=CC=CCN1
InChIInChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-5,8H,1,6H2
InChIKeyTUHZGMZIGHZSRK-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.22
Rot. Bonds1

About 6-ethenyl-1,2-dihydropyridine

6-ethenyl-1,2-dihydropyridine (PubChem CID 5246386) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 6-ethenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-1,2-dihydropyridine
PubChem CID5246386
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name6-ethenyl-1,2-dihydropyridine
SMILESC=CC1=CC=CCN1
InChIInChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-5,8H,1,6H2
InChIKeyTUHZGMZIGHZSRK-UHFFFAOYSA-N
XLogP1.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,2-dihydropyridine?
The IUPAC name of 6-ethenyl-1,2-dihydropyridine (CID 5246386) is 6-ethenyl-1,2-dihydropyridine.
What is the SMILES notation for 6-ethenyl-1,2-dihydropyridine?
The canonical SMILES for 6-ethenyl-1,2-dihydropyridine is C=CC1=CC=CCN1.
What is the InChIKey of 6-ethenyl-1,2-dihydropyridine?
The InChIKey is TUHZGMZIGHZSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h2-5,8H,1,6H2.
What are the key properties of 6-ethenyl-1,2-dihydropyridine?
6-ethenyl-1,2-dihydropyridine has a molecular weight of 107.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,2-dihydropyridine is sourced from PubChem (CID 5246386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).