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

C9H9NO2 — CID 86730943

IUPAC6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESC=Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C9H9NO2/c1-2-7-3-4-8-9(10-7)12-6-5-11-8/h2-4H,1,5-6H2
InChIKeyMWPPNLCKDBOQKL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.50
Rot. Bonds1

About 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 86730943) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID86730943
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESC=Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C9H9NO2/c1-2-7-3-4-8-9(10-7)12-6-5-11-8/h2-4H,1,5-6H2
InChIKeyMWPPNLCKDBOQKL-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 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 86730943) is 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is C=Cc1ccc2c(n1)OCCO2.
What is the InChIKey of 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is MWPPNLCKDBOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-7-3-4-8-9(10-7)12-6-5-11-8/h2-4H,1,5-6H2.
What are the key properties of 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-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 6-ethenyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 86730943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).