2-ethyl-3,4-dihydropyridine

C7H11N — CID 14979253

IUPAC2-ethyl-3,4-dihydropyridine
SMILESCCC1=NC=CCC1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3
InChIKeyZWDWHOGPYPBNMM-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds1

About 2-ethyl-3,4-dihydropyridine

2-ethyl-3,4-dihydropyridine (PubChem CID 14979253) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3,4-dihydropyridine
PubChem CID14979253
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethyl-3,4-dihydropyridine
SMILESCCC1=NC=CCC1
InChIInChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3
InChIKeyZWDWHOGPYPBNMM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-3,4-dihydropyridine (CID 14979253) is 2-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-3,4-dihydropyridine is CCC1=NC=CCC1.
What is the InChIKey of 2-ethyl-3,4-dihydropyridine?
The InChIKey is ZWDWHOGPYPBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-5-3-4-6-8-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-3,4-dihydropyridine?
2-ethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 14979253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).