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

C16H13NO2S — CID 58381824

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole
SMILESc1ccc(-n2cccc2-c2scc3c2OCCO3)cc1
InChIInChI=1S/C16H13NO2S/c1-2-5-12(6-3-1)17-8-4-7-13(17)16-15-14(11-20-16)18-9-10-19-15/h1-8,11H,9-10H2
InChIKeyLBLXJRJEFSYMBJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.98
Rot. Bonds2

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

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole (PubChem CID 58381824) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole
PubChem CID58381824
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole
SMILESc1ccc(-n2cccc2-c2scc3c2OCCO3)cc1
InChIInChI=1S/C16H13NO2S/c1-2-5-12(6-3-1)17-8-4-7-13(17)16-15-14(11-20-16)18-9-10-19-15/h1-8,11H,9-10H2
InChIKeyLBLXJRJEFSYMBJ-UHFFFAOYSA-N
XLogP3.98
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.98
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-phenylpyrrole?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole (CID 58381824) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole is c1ccc(-n2cccc2-c2scc3c2OCCO3)cc1.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole?
The InChIKey is LBLXJRJEFSYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-5-12(6-3-1)17-8-4-7-13(17)16-15-14(11-20-16)18-9-10-19-15/h1-8,11H,9-10H2.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-phenylpyrrole has a molecular weight of 283.35 g/mol, XLogP of 3.98, 2 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-phenylpyrrole is sourced from PubChem (CID 58381824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).