8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one

C11H11NO3 — CID 122551589

IUPAC8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one
SMILESC=Cc1cncc2c1OC(C)(C)OC2=O
InChIInChI=1S/C11H11NO3/c1-4-7-5-12-6-8-9(7)14-11(2,3)15-10(8)13/h4-6H,1H2,2-3H3
InChIKeyXUEWYJKFUNKACI-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.01
Rot. Bonds1

About 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one

8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one (PubChem CID 122551589) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one
PubChem CID122551589
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one
SMILESC=Cc1cncc2c1OC(C)(C)OC2=O
InChIInChI=1S/C11H11NO3/c1-4-7-5-12-6-8-9(7)14-11(2,3)15-10(8)13/h4-6H,1H2,2-3H3
InChIKeyXUEWYJKFUNKACI-UHFFFAOYSA-N
XLogP2.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one?
The IUPAC name of 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one (CID 122551589) is 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one.
What is the SMILES notation for 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one?
The canonical SMILES for 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one is C=Cc1cncc2c1OC(C)(C)OC2=O.
What is the InChIKey of 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one?
The InChIKey is XUEWYJKFUNKACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-4-7-5-12-6-8-9(7)14-11(2,3)15-10(8)13/h4-6H,1H2,2-3H3.
What are the key properties of 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one?
8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one has a molecular weight of 205.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2,2-dimethyl-[1,3]dioxino[5,4-c]pyridin-4-one is sourced from PubChem (CID 122551589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).