3-ethyl-2,3-dihydropyridine

C7H11N — CID 54500796

IUPAC3-ethyl-2,3-dihydropyridine
SMILESCCC1C=CC=NC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3
InChIKeyYCGVSCIQWKFEHH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds1

About 3-ethyl-2,3-dihydropyridine

3-ethyl-2,3-dihydropyridine (PubChem CID 54500796) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-2,3-dihydropyridine
PubChem CID54500796
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethyl-2,3-dihydropyridine
SMILESCCC1C=CC=NC1
InChIInChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3
InChIKeyYCGVSCIQWKFEHH-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydropyridine?
The IUPAC name of 3-ethyl-2,3-dihydropyridine (CID 54500796) is 3-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 3-ethyl-2,3-dihydropyridine?
The canonical SMILES for 3-ethyl-2,3-dihydropyridine is CCC1C=CC=NC1.
What is the InChIKey of 3-ethyl-2,3-dihydropyridine?
The InChIKey is YCGVSCIQWKFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-ethyl-2,3-dihydropyridine?
3-ethyl-2,3-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydropyridine is sourced from PubChem (CID 54500796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).