6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C12H17NO2 — CID 58602743

IUPAC6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(C)(C)Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-9-4-5-10-11(13-9)15-7-6-14-10/h4-5H,6-8H2,1-3H3
InChIKeyZGMUMASWEQOESG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 58602743) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID58602743
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(C)(C)Cc1ccc2c(n1)OCCO2
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-9-4-5-10-11(13-9)15-7-6-14-10/h4-5H,6-8H2,1-3H3
InChIKeyZGMUMASWEQOESG-UHFFFAOYSA-N
XLogP2.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 58602743) is 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(C)(C)Cc1ccc2c(n1)OCCO2.
What is the InChIKey of 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ZGMUMASWEQOESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)8-9-4-5-10-11(13-9)15-7-6-14-10/h4-5H,6-8H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 207.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 58602743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).