2-oxo-1,3-benzodioxole-5-carboxamide

C8H5NO4 — CID 21398782

IUPAC2-oxo-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc2oc(=O)oc2c1
InChIInChI=1S/C8H5NO4/c9-7(10)4-1-2-5-6(3-4)13-8(11)12-5/h1-3H,(H2,9,10)
InChIKeyAKRXEXSBHOYMDI-UHFFFAOYSA-N
MW179.13 g/mol
LogP0.48
Rot. Bonds1

About 2-oxo-1,3-benzodioxole-5-carboxamide

2-oxo-1,3-benzodioxole-5-carboxamide (PubChem CID 21398782) has the molecular formula C8H5NO4 and a molecular weight of 179.13 g/mol. Its IUPAC name is 2-oxo-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-1,3-benzodioxole-5-carboxamide
PubChem CID21398782
Molecular FormulaC8H5NO4
Molecular Weight179.13 g/mol
Exact Mass179.02
IUPAC Name2-oxo-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc2oc(=O)oc2c1
InChIInChI=1S/C8H5NO4/c9-7(10)4-1-2-5-6(3-4)13-8(11)12-5/h1-3H,(H2,9,10)
InChIKeyAKRXEXSBHOYMDI-UHFFFAOYSA-N
XLogP0.48
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
1,2,3-benzoxadiazole-6-carboxamide
CID 151372469
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
1,3-benzoxazole-6-carboxamide
CID 22245908
8-cyanodibenzofuran-2-carboxamide
CID 69260878
2-fluoro-[1]benzofuro[3,2-c]pyrazole-7-carboxamide
CID 176770330
7-oxophenoxazine-3-carboxamide
CID 67872147
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
benzotrioxole-5-carboxamide
CID 141463009
2-chloro-1-(2-sulfanylidene-1,3-benzodioxol-5-yl)ethanone
CID 163711108
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 2-oxo-1,3-benzodioxole-5-carboxamide (CID 21398782) is 2-oxo-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 2-oxo-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 2-oxo-1,3-benzodioxole-5-carboxamide is NC(=O)c1ccc2oc(=O)oc2c1.
What is the InChIKey of 2-oxo-1,3-benzodioxole-5-carboxamide?
The InChIKey is AKRXEXSBHOYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4/c9-7(10)4-1-2-5-6(3-4)13-8(11)12-5/h1-3H,(H2,9,10).
What are the key properties of 2-oxo-1,3-benzodioxole-5-carboxamide?
2-oxo-1,3-benzodioxole-5-carboxamide has a molecular weight of 179.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 21398782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).