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
   -3.3618   -0.9728   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843    0.0920   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    0.3194    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    0.3817    0.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    1.5783   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1051    2.7583   -0.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642    1.2100   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -0.0905   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -0.6569    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -1.8603    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717   -0.7338   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0260   -1.1638   -1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3624   -1.6916    0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    0.7799   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8502   -0.4535    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0114    1.2824    1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    1.9472   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954   -1.7654   -0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9180   -0.1419   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -0.8186    0.7231 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