2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid

C12H9NO7 — CID 159366608

IUPAC2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
SMILESNC(=O)C(=O)c1ccco1.O=C(O)C(=O)c1ccco1
InChIInChI=1S/C6H5NO3.C6H4O4/c7-6(9)5(8)4-2-1-3-10-4;7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H2,7,9);1-3H,(H,8,9)
InChIKeyLJFBLOXZIWOSEU-UHFFFAOYSA-N
MW279.20 g/mol
LogP0.49
Rot. Bonds4

About 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid

2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid (PubChem CID 159366608) has the molecular formula C12H9NO7 and a molecular weight of 279.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
PubChem CID159366608
Molecular FormulaC12H9NO7
Molecular Weight279.20 g/mol
Exact Mass279.04
IUPAC Name2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
SMILESNC(=O)C(=O)c1ccco1.O=C(O)C(=O)c1ccco1
InChIInChI=1S/C6H5NO3.C6H4O4/c7-6(9)5(8)4-2-1-3-10-4;7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H2,7,9);1-3H,(H,8,9)
InChIKeyLJFBLOXZIWOSEU-UHFFFAOYSA-N
XLogP0.49
TPSA140.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

furan-2-carboxamide;molecular hydrogen
CID 145259960
furan-2-carboxylic acid;methanamine
CID 82372767
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
furan-2-carboxylic acid;gold
CID 174701575
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796
furan-2-carboxylic acid;methanol
CID 70611195
(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
CID 11332786
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
2-(furan-2-yl)-2-oxo-N-sulfanylacetamide
CID 134444220
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid?
The IUPAC name of 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid (CID 159366608) is 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid is NC(=O)C(=O)c1ccco1.O=C(O)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid?
The InChIKey is LJFBLOXZIWOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C6H4O4/c7-6(9)5(8)4-2-1-3-10-4;7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H2,7,9);1-3H,(H,8,9).
What are the key properties of 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid?
2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid has a molecular weight of 279.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid is sourced from PubChem (CID 159366608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).