CAS 3688-53-7|2-Furanacetamide, alpha-((5-nitro-2-furanyl)methylene)-,|Furylfuramide|a-(Furyl)-b-(5-nitro-2-furyl)acrylic amide|2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide|Alpha-2-furyl-5-nitro-2-fur...

General Information

Structure

Molecular Formula

C₁₁H₈N₂O₅

Molecular Mass

248.19162

Exact Mass

248.04332137

Charge

InChI

InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)

InChIKey

LYAHJFZLDZDIOH-UHFFFAOYSA-N

Canonic Smiles

NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1

Isomeric Smiles

O=[N+]([O-])c1oc(/C=C(/c2occc2)\C(=O)N)cc1

Calculated Properties

JChem

Acid pKa

14.055634

H Acceptors

H Donor

LogD (pH = 5.5)

1.1469978

LogD (pH = 7.4)

1.147

Log P

1.147

Molar Refractivity

60.694

Polarizability

22.329363

Polar Surface Area

115.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Furanacetamide, alpha-((5-nitro-2-furanyl)methylene)-,Furylfuramidea-(Furyl)-b-(5-nitro-2-furyl)acrylic amide2-(2-furyl)-3-(5-nitro-2-furyl) acrylamideAlpha-2-furyl-5-nitro-2-furanacrylamidetrans-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamideTofuron2-(2-Furyl)-3-(5-nitro-2-furyl)acrylic acid amide

IUPAC Traditional name

2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

IUPAC name

2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

Names and Identifiers

Registration numbers

PubChem CID

5280707

KEGG ID

D02528

CHEBI ID

15660