Monomers

[4-(3-Methylidene-2,5-dioxopyrrolidin-1-yl)phenyl] acetate

Identifiers

IUPAC name
[4-(3-methylidene-2,5-dioxopyrrolidin-1-yl)phenyl] acetate
InchI
InChI=1S/C13H11NO4/c1-8-7-12(16)14(13(8)17)10-3-5-11(6-4-10)18-9(2)15/h3-6H,1,7H2,2H3
InchI Key
FQVZMEVYCFACKE-UHFFFAOYSA-N
SMILES
CC(=O)Oc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H11NO4
Heavy Atom Count
18
Molecular Weight
245.234
Exact Molecular Weight
245.0688
Valence Electrons
92
Radical Electrons
0
tPSA
63.68
MolLogP
1.4314
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
    6.0118   -0.0868   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289   -0.1741   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -0.6740   -1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773    0.2949    0.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    0.2448    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    1.1976   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    1.0580   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957   -0.0422    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2751   -0.9926    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600   -0.8454    0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -0.1655    0.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033   -1.3195    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441   -2.4893   -0.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1263   -0.9779   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2037    0.4369    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2716    1.1579    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329    0.9223    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284    2.1443    0.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786    0.8144    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4960   -0.0205   -1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3847   -1.0017    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    2.0593   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5091    1.7827   -0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1524   -1.8809    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -1.6154    1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -1.1084   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7174   -1.6453    0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2288    2.2055    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2377    0.7208    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 15 17  1  0
 17 18  2  0
 10  5  1  0
 17 11  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 14 26  1  0
 14 27  1  0
 16 28  1  0
 16 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers