2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide

C8H8N2O5 — CID 131862542

IUPAC2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide
SMILESNC(=O)c1oc(C(N)=O)c2c1OCCO2
InChIInChI=1S/C8H8N2O5/c9-7(11)5-3-4(14-2-1-13-3)6(15-5)8(10)12/h1-2H2,(H2,9,11)(H2,10,12)
InChIKeyYYSGFJQSZJLQIS-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.75
Rot. Bonds2

About 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide

2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide (PubChem CID 131862542) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide.

Molecular Properties

Compound Name2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide
PubChem CID131862542
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide
SMILESNC(=O)c1oc(C(N)=O)c2c1OCCO2
InChIInChI=1S/C8H8N2O5/c9-7(11)5-3-4(14-2-1-13-3)6(15-5)8(10)12/h1-2H2,(H2,9,11)(H2,10,12)
InChIKeyYYSGFJQSZJLQIS-UHFFFAOYSA-N
XLogP-0.75
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 141056369
4-[(2,4,5-tricarbamoylfuran-3-yl)disulfanyl]furan-2,3,5-tricarboxamide
CID 139909869
7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 65375407
4H-triazole-5-carboxamide
CID 125415069
oxirane;urea
CID 159502675
7-methyl-3,6-dihydro-2H-furo[3,2-b]pyridine-5,7-dicarboxamide
CID 150181359
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 4048985
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid
CID 124509971
1-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-one
CID 117458780
furo[3,4-c]pyridine-1,3-dicarboxamide
CID 119091169

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide?
The IUPAC name of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide (CID 131862542) is 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide.
What is the SMILES notation for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide?
The canonical SMILES for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide is NC(=O)c1oc(C(N)=O)c2c1OCCO2.
What is the InChIKey of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide?
The InChIKey is YYSGFJQSZJLQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c9-7(11)5-3-4(14-2-1-13-3)6(15-5)8(10)12/h1-2H2,(H2,9,11)(H2,10,12).
What are the key properties of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide?
2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide has a molecular weight of 212.16 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5,7-dicarboxamide is sourced from PubChem (CID 131862542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).