3-ethyl-1,4-dihydropyridine

C7H11N — CID 15068622

IUPAC3-ethyl-1,4-dihydropyridine
SMILESCCC1=CNC=CC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyYFDBEVMOYYMHSU-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-1,4-dihydropyridine

3-ethyl-1,4-dihydropyridine (PubChem CID 15068622) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethyl-1,4-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-1,4-dihydropyridine
PubChem CID15068622
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethyl-1,4-dihydropyridine
SMILESCCC1=CNC=CC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyYFDBEVMOYYMHSU-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dihydropyridine?
The IUPAC name of 3-ethyl-1,4-dihydropyridine (CID 15068622) is 3-ethyl-1,4-dihydropyridine.
What is the SMILES notation for 3-ethyl-1,4-dihydropyridine?
The canonical SMILES for 3-ethyl-1,4-dihydropyridine is CCC1=CNC=CC1.
What is the InChIKey of 3-ethyl-1,4-dihydropyridine?
The InChIKey is YFDBEVMOYYMHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 3-ethyl-1,4-dihydropyridine?
3-ethyl-1,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dihydropyridine is sourced from PubChem (CID 15068622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).