3-ethyl-1,2-dihydropyridine

C7H11N — CID 15068621

IUPAC3-ethyl-1,2-dihydropyridine
SMILESCCC1=CC=CNC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,8H,2,6H2,1H3
InChIKeyLYGCHHWHGCTWDT-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.44
Rot. Bonds1

About 3-ethyl-1,2-dihydropyridine

3-ethyl-1,2-dihydropyridine (PubChem CID 15068621) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-1,2-dihydropyridine
PubChem CID15068621
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethyl-1,2-dihydropyridine
SMILESCCC1=CC=CNC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,8H,2,6H2,1H3
InChIKeyLYGCHHWHGCTWDT-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dihydropyridine?
The IUPAC name of 3-ethyl-1,2-dihydropyridine (CID 15068621) is 3-ethyl-1,2-dihydropyridine.
What is the SMILES notation for 3-ethyl-1,2-dihydropyridine?
The canonical SMILES for 3-ethyl-1,2-dihydropyridine is CCC1=CC=CNC1.
What is the InChIKey of 3-ethyl-1,2-dihydropyridine?
The InChIKey is LYGCHHWHGCTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,8H,2,6H2,1H3.
What are the key properties of 3-ethyl-1,2-dihydropyridine?
3-ethyl-1,2-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dihydropyridine is sourced from PubChem (CID 15068621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).