7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C9H9NO2 — CID 74788146

IUPAC7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESC=Cc1cnc2c(c1)OCCO2
InChIInChI=1S/C9H9NO2/c1-2-7-5-8-9(10-6-7)12-4-3-11-8/h2,5-6H,1,3-4H2
InChIKeyDYMKHDROQWGXPZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.50
Rot. Bonds1

About 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 74788146) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID74788146
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESC=Cc1cnc2c(c1)OCCO2
InChIInChI=1S/C9H9NO2/c1-2-7-5-8-9(10-6-7)12-4-3-11-8/h2,5-6H,1,3-4H2
InChIKeyDYMKHDROQWGXPZ-UHFFFAOYSA-N
XLogP1.50
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 74788146) is 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is C=Cc1cnc2c(c1)OCCO2.
What is the InChIKey of 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is DYMKHDROQWGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-7-5-8-9(10-6-7)12-4-3-11-8/h2,5-6H,1,3-4H2.
What are the key properties of 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 163.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 74788146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).