1-ethyl-2,4-dihydropyridin-4-ylium

C7H10N+ — CID 91497778

IUPAC1-ethyl-2,4-dihydropyridin-4-ylium
SMILESCCN1C=C[C+]=CC1
InChIInChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3/q+1
InChIKeyXGYGHBCQVRYEHN-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.19
Rot. Bonds1

About 1-ethyl-2,4-dihydropyridin-4-ylium

1-ethyl-2,4-dihydropyridin-4-ylium (PubChem CID 91497778) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is 1-ethyl-2,4-dihydropyridin-4-ylium.

Molecular Properties

Compound Name1-ethyl-2,4-dihydropyridin-4-ylium
PubChem CID91497778
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name1-ethyl-2,4-dihydropyridin-4-ylium
SMILESCCN1C=C[C+]=CC1
InChIInChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3/q+1
InChIKeyXGYGHBCQVRYEHN-UHFFFAOYSA-N
XLogP1.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dihydropyridin-4-ylium?
The IUPAC name of 1-ethyl-2,4-dihydropyridin-4-ylium (CID 91497778) is 1-ethyl-2,4-dihydropyridin-4-ylium.
What is the SMILES notation for 1-ethyl-2,4-dihydropyridin-4-ylium?
The canonical SMILES for 1-ethyl-2,4-dihydropyridin-4-ylium is CCN1C=C[C+]=CC1.
What is the InChIKey of 1-ethyl-2,4-dihydropyridin-4-ylium?
The InChIKey is XGYGHBCQVRYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h4-6H,2,7H2,1H3/q+1.
What are the key properties of 1-ethyl-2,4-dihydropyridin-4-ylium?
1-ethyl-2,4-dihydropyridin-4-ylium has a molecular weight of 108.16 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dihydropyridin-4-ylium is sourced from PubChem (CID 91497778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).