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
   -3.1272    1.3976    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    0.3701   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041   -0.5729    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -0.6204    0.0855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263   -1.4544   -0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092   -2.3445   -1.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6318   -1.0848   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -0.1191   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174    0.2142    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.1190    1.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344    0.5446    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074    1.5967    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487    2.0906   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6924    0.2089   -1.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.6113    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238   -0.2680    1.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -1.5321   -1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816    0.8334    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218   -0.1986   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    1.4309   -0.6834 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