Monomers

1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-

Identifiers

IUPAC name
3-methyl-1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5H,1,4H2,2H3
InchI Key
FGERGCLLTZOZLN-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=C(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC=C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.4875
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.2181    1.1870   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    0.1784   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -0.6476    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275   -0.6608   -0.2289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738   -1.5032   -1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -2.4636   -1.6979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465   -1.0520   -0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9363   -0.0041   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771    0.2793    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805    1.2271    1.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    0.7577    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387    1.4111    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7843    1.7994   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289    0.0003   -2.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297   -0.2708    1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -1.6982    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -1.4771   -1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790    0.1643    0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0404    1.0645    1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2163    1.7084   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
  9  4  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  7 17  1  0
 11 18  1  0
 11 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers