2,5-dioxo-4-phenylfuran-3-carboxamide

C11H7NO4 — CID 121006156

IUPAC2,5-dioxo-4-phenylfuran-3-carboxamide
SMILESNC(=O)C1=C(c2ccccc2)C(=O)OC1=O
InChIInChI=1S/C11H7NO4/c12-9(13)8-7(10(14)16-11(8)15)6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyOXBRTAQKHFYXRG-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.01
Rot. Bonds2

About 2,5-dioxo-4-phenylfuran-3-carboxamide

2,5-dioxo-4-phenylfuran-3-carboxamide (PubChem CID 121006156) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2,5-dioxo-4-phenylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-4-phenylfuran-3-carboxamide
PubChem CID121006156
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name2,5-dioxo-4-phenylfuran-3-carboxamide
SMILESNC(=O)C1=C(c2ccccc2)C(=O)OC1=O
InChIInChI=1S/C11H7NO4/c12-9(13)8-7(10(14)16-11(8)15)6-4-2-1-3-5-6/h1-5H,(H2,12,13)
InChIKeyOXBRTAQKHFYXRG-UHFFFAOYSA-N
XLogP0.01
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-4-phenylfuran-3-carboxamide?
The IUPAC name of 2,5-dioxo-4-phenylfuran-3-carboxamide (CID 121006156) is 2,5-dioxo-4-phenylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-4-phenylfuran-3-carboxamide?
The canonical SMILES for 2,5-dioxo-4-phenylfuran-3-carboxamide is NC(=O)C1=C(c2ccccc2)C(=O)OC1=O.
What is the InChIKey of 2,5-dioxo-4-phenylfuran-3-carboxamide?
The InChIKey is OXBRTAQKHFYXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c12-9(13)8-7(10(14)16-11(8)15)6-4-2-1-3-5-6/h1-5H,(H2,12,13).
What are the key properties of 2,5-dioxo-4-phenylfuran-3-carboxamide?
2,5-dioxo-4-phenylfuran-3-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-4-phenylfuran-3-carboxamide is sourced from PubChem (CID 121006156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).