3-ethyl-2,5-dihydropyridine

C7H11N — CID 57245959

IUPAC3-ethyl-2,5-dihydropyridine
SMILESCCC1=CCC=NC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4-5H,2-3,6H2,1H3
InChIKeyREXUZICUTYOLMG-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 3-ethyl-2,5-dihydropyridine

3-ethyl-2,5-dihydropyridine (PubChem CID 57245959) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-2,5-dihydropyridine
PubChem CID57245959
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethyl-2,5-dihydropyridine
SMILESCCC1=CCC=NC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4-5H,2-3,6H2,1H3
InChIKeyREXUZICUTYOLMG-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
2-methyl-2-pentenal N-allylimine
CID 129747538
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
5-Methyl-2,3-dihydropyridine
CID 53854191
4-Ethyl-2,3-dihydropyridine
CID 54137700
4-Methyl-2,5-dihydropyridine
CID 56986892
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
4-ethyl-3H-pyridin-1-ium
CID 57069591

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dihydropyridine?
The IUPAC name of 3-ethyl-2,5-dihydropyridine (CID 57245959) is 3-ethyl-2,5-dihydropyridine.
What is the SMILES notation for 3-ethyl-2,5-dihydropyridine?
The canonical SMILES for 3-ethyl-2,5-dihydropyridine is CCC1=CCC=NC1.
What is the InChIKey of 3-ethyl-2,5-dihydropyridine?
The InChIKey is REXUZICUTYOLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-ethyl-2,5-dihydropyridine?
3-ethyl-2,5-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dihydropyridine is sourced from PubChem (CID 57245959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).