2-ethyl-2,5-dihydropyridine

C7H11N — CID 91327655

IUPAC2-ethyl-2,5-dihydropyridine
SMILESCCC1C=CCC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3,5-7H,2,4H2,1H3
InChIKeyFMPINRBJVDYZGA-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 2-ethyl-2,5-dihydropyridine

2-ethyl-2,5-dihydropyridine (PubChem CID 91327655) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-2,5-dihydropyridine
PubChem CID91327655
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethyl-2,5-dihydropyridine
SMILESCCC1C=CCC=N1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3,5-7H,2,4H2,1H3
InChIKeyFMPINRBJVDYZGA-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

2,5-Dihydropyridine
CID 15738596
2-methyl-2H-pyrrole
CID 18970006
2-Methyl-2,3-dihydropyridine
CID 21652564
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
Diethylideneaniline
CID 70417807
Bis-propylideneaniline
CID 129791915
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2-Deuterio-2,5-dihydropyridine
CID 11819041
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dihydropyridine?
The IUPAC name of 2-ethyl-2,5-dihydropyridine (CID 91327655) is 2-ethyl-2,5-dihydropyridine.
What is the SMILES notation for 2-ethyl-2,5-dihydropyridine?
The canonical SMILES for 2-ethyl-2,5-dihydropyridine is CCC1C=CCC=N1.
What is the InChIKey of 2-ethyl-2,5-dihydropyridine?
The InChIKey is FMPINRBJVDYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-ethyl-2,5-dihydropyridine?
2-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 2-ethyl-2,5-dihydropyridine is sourced from PubChem (CID 91327655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).