1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone

C9H9NO3 — CID 66598503

IUPAC1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCCO2
InChIInChI=1S/C9H9NO3/c1-6(11)7-4-8-9(10-5-7)13-3-2-12-8/h4-5H,2-3H2,1H3
InChIKeyCWNBNVWELAQWHJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.06
Rot. Bonds1

About 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone

1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone (PubChem CID 66598503) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
PubChem CID66598503
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCCO2
InChIInChI=1S/C9H9NO3/c1-6(11)7-4-8-9(10-5-7)13-3-2-12-8/h4-5H,2-3H2,1H3
InChIKeyCWNBNVWELAQWHJ-UHFFFAOYSA-N
XLogP1.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone (CID 66598503) is 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone is CC(=O)c1cnc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone?
The InChIKey is CWNBNVWELAQWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(11)7-4-8-9(10-5-7)13-3-2-12-8/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone?
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone has a molecular weight of 179.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone is sourced from PubChem (CID 66598503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).