5-ethenyl-6-ethyl-3,4-dihydropyridine

C9H13N — CID 142549035

IUPAC5-ethenyl-6-ethyl-3,4-dihydropyridine
SMILESC=CC1=C(CC)N=CCC1
InChIInChI=1S/C9H13N/c1-3-8-6-5-7-10-9(8)4-2/h3,7H,1,4-6H2,2H3
InChIKeyKJRJGUXNBNXETQ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds2

About 5-ethenyl-6-ethyl-3,4-dihydropyridine

5-ethenyl-6-ethyl-3,4-dihydropyridine (PubChem CID 142549035) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-ethenyl-6-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethenyl-6-ethyl-3,4-dihydropyridine
PubChem CID142549035
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-ethenyl-6-ethyl-3,4-dihydropyridine
SMILESC=CC1=C(CC)N=CCC1
InChIInChI=1S/C9H13N/c1-3-8-6-5-7-10-9(8)4-2/h3,7H,1,4-6H2,2H3
InChIKeyKJRJGUXNBNXETQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-ethyl-3,4-dihydropyridine?
The IUPAC name of 5-ethenyl-6-ethyl-3,4-dihydropyridine (CID 142549035) is 5-ethenyl-6-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 5-ethenyl-6-ethyl-3,4-dihydropyridine?
The canonical SMILES for 5-ethenyl-6-ethyl-3,4-dihydropyridine is C=CC1=C(CC)N=CCC1.
What is the InChIKey of 5-ethenyl-6-ethyl-3,4-dihydropyridine?
The InChIKey is KJRJGUXNBNXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8-6-5-7-10-9(8)4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of 5-ethenyl-6-ethyl-3,4-dihydropyridine?
5-ethenyl-6-ethyl-3,4-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 142549035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).