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
    3.4151   -0.3991    0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    0.5144    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    0.2933   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    0.3336   -0.7081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099    1.4833   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523    2.6360   -0.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9473    1.0869   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279   -0.2216   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861   -0.7434   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086   -1.9466   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -1.0759    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0359   -0.1902    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -1.3207   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    1.4527    0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -0.7058   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    1.0272   -1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    1.6845   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120   -1.9708    0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -1.4235   -0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7971   -0.5143    1.0003 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