4-ethoxy-2,3-dihydropyridine

C7H11NO — CID 135039935

IUPAC4-ethoxy-2,3-dihydropyridine
SMILESCCOC1=CC=NCC1
InChIInChI=1S/C7H11NO/c1-2-9-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyJWJQQYFDLOVVBQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds2

About 4-ethoxy-2,3-dihydropyridine

4-ethoxy-2,3-dihydropyridine (PubChem CID 135039935) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethoxy-2,3-dihydropyridine.

Molecular Properties

Compound Name4-ethoxy-2,3-dihydropyridine
PubChem CID135039935
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethoxy-2,3-dihydropyridine
SMILESCCOC1=CC=NCC1
InChIInChI=1S/C7H11NO/c1-2-9-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyJWJQQYFDLOVVBQ-UHFFFAOYSA-N
XLogP1.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-dihydropyridine?
The IUPAC name of 4-ethoxy-2,3-dihydropyridine (CID 135039935) is 4-ethoxy-2,3-dihydropyridine.
What is the SMILES notation for 4-ethoxy-2,3-dihydropyridine?
The canonical SMILES for 4-ethoxy-2,3-dihydropyridine is CCOC1=CC=NCC1.
What is the InChIKey of 4-ethoxy-2,3-dihydropyridine?
The InChIKey is JWJQQYFDLOVVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 4-ethoxy-2,3-dihydropyridine?
4-ethoxy-2,3-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dihydropyridine is sourced from PubChem (CID 135039935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).