1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole

C20H15NO2S2 — CID 122202184

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole
SMILESc1csc(-c2ccc(-c3cccs3)n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15NO2S2/c1-3-19(24-11-1)15-6-7-16(20-4-2-12-25-20)21(15)14-5-8-17-18(13-14)23-10-9-22-17/h1-8,11-13H,9-10H2
InChIKeyUHFVTWIXVSITOR-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.71
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole (PubChem CID 122202184) has the molecular formula C20H15NO2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole
PubChem CID122202184
Molecular FormulaC20H15NO2S2
Molecular Weight365.48 g/mol
Exact Mass365.05
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole
SMILESc1csc(-c2ccc(-c3cccs3)n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15NO2S2/c1-3-19(24-11-1)15-6-7-16(20-4-2-12-25-20)21(15)14-5-8-17-18(13-14)23-10-9-22-17/h1-8,11-13H,9-10H2
InChIKeyUHFVTWIXVSITOR-UHFFFAOYSA-N
XLogP5.71
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 41136120
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 2814708
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 859207
9-(1,3-benzodioxol-5-yl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide
CID 7267866
2,3-dihydro-1,4-benzodioxin-6-yl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 78833790
(4R,7S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-diol
CID 91524408
(4E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
CID 108936962
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one
CID 4591024
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52714198
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 43971300

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole (CID 122202184) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole is c1csc(-c2ccc(-c3cccs3)n2-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole?
The InChIKey is UHFVTWIXVSITOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S2/c1-3-19(24-11-1)15-6-7-16(20-4-2-12-25-20)21(15)14-5-8-17-18(13-14)23-10-9-22-17/h1-8,11-13H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole has a molecular weight of 365.48 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dithiophen-2-ylpyrrole is sourced from PubChem (CID 122202184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).