2-N,5-N-dihydroxyfuran-2,5-dicarboxamide

C6H6N2O5 — CID 4067148

IUPAC2-N,5-N-dihydroxyfuran-2,5-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NO)o1
InChIInChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)
InChIKeyPJWJTAUUGOFUIE-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.48
Rot. Bonds2

About 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide

2-N,5-N-dihydroxyfuran-2,5-dicarboxamide (PubChem CID 4067148) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-dihydroxyfuran-2,5-dicarboxamide
PubChem CID4067148
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name2-N,5-N-dihydroxyfuran-2,5-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NO)o1
InChIInChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)
InChIKeyPJWJTAUUGOFUIE-UHFFFAOYSA-N
XLogP-0.48
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide (CID 4067148) is 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide is O=C(NO)c1ccc(C(=O)NO)o1.
What is the InChIKey of 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide?
The InChIKey is PJWJTAUUGOFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10).
What are the key properties of 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide?
2-N,5-N-dihydroxyfuran-2,5-dicarboxamide has a molecular weight of 186.12 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dihydroxyfuran-2,5-dicarboxamide is sourced from PubChem (CID 4067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).