2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole

C11H11NO2S — CID 58381820

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole
SMILESCn1cccc1-c1scc2c1OCCO2
InChIInChI=1S/C11H11NO2S/c1-12-4-2-3-8(12)11-10-9(7-15-11)13-5-6-14-10/h2-4,7H,5-6H2,1H3
InChIKeyVDFIUJPTHRUGFY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.52
Rot. Bonds1

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole (PubChem CID 58381820) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole
PubChem CID58381820
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole
SMILESCn1cccc1-c1scc2c1OCCO2
InChIInChI=1S/C11H11NO2S/c1-12-4-2-3-8(12)11-10-9(7-15-11)13-5-6-14-10/h2-4,7H,5-6H2,1H3
InChIKeyVDFIUJPTHRUGFY-UHFFFAOYSA-N
XLogP2.52
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole (CID 58381820) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole is Cn1cccc1-c1scc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole?
The InChIKey is VDFIUJPTHRUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12-4-2-3-8(12)11-10-9(7-15-11)13-5-6-14-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole has a molecular weight of 221.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-methylpyrrole is sourced from PubChem (CID 58381820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).