6-ethyl-2,5-dihydropyridine

C7H11N — CID 57319207

IUPAC6-ethyl-2,5-dihydropyridine
SMILESCCC1=NCC=CC1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4H,2,5-6H2,1H3
InChIKeyZTCLNXIYMFFZID-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 6-ethyl-2,5-dihydropyridine

6-ethyl-2,5-dihydropyridine (PubChem CID 57319207) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 6-ethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-2,5-dihydropyridine
PubChem CID57319207
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name6-ethyl-2,5-dihydropyridine
SMILESCCC1=NCC=CC1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4H,2,5-6H2,1H3
InChIKeyZTCLNXIYMFFZID-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

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3Hlutidine
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6-Ethyl-2,3-dihydropyridine
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5-ethyl-2H-pyrrole
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5-ethyl-1-methyl-2H-pyrrol-1-ium
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dihydropyridine?
The IUPAC name of 6-ethyl-2,5-dihydropyridine (CID 57319207) is 6-ethyl-2,5-dihydropyridine.
What is the SMILES notation for 6-ethyl-2,5-dihydropyridine?
The canonical SMILES for 6-ethyl-2,5-dihydropyridine is CCC1=NCC=CC1.
What is the InChIKey of 6-ethyl-2,5-dihydropyridine?
The InChIKey is ZTCLNXIYMFFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-2,5-dihydropyridine?
6-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 6-ethyl-2,5-dihydropyridine is sourced from PubChem (CID 57319207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).