4-ethyl-3,4-dihydropyridine

C7H11N — CID 14979261

IUPAC4-ethyl-3,4-dihydropyridine
SMILESCCC1C=CN=CC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3
InChIKeyPYRXSQTXNGYGDI-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds1

About 4-ethyl-3,4-dihydropyridine

4-ethyl-3,4-dihydropyridine (PubChem CID 14979261) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-3,4-dihydropyridine
PubChem CID14979261
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethyl-3,4-dihydropyridine
SMILESCCC1C=CN=CC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3
InChIKeyPYRXSQTXNGYGDI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dihydropyridine?
The IUPAC name of 4-ethyl-3,4-dihydropyridine (CID 14979261) is 4-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 4-ethyl-3,4-dihydropyridine?
The canonical SMILES for 4-ethyl-3,4-dihydropyridine is CCC1C=CN=CC1.
What is the InChIKey of 4-ethyl-3,4-dihydropyridine?
The InChIKey is PYRXSQTXNGYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h3,5-7H,2,4H2,1H3.
What are the key properties of 4-ethyl-3,4-dihydropyridine?
4-ethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 14979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).