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
    3.5465    0.5626    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3538    0.9850    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    0.1573   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064   -0.2698   -0.2937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443   -1.4212    0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908   -2.3074    0.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746   -1.3480    0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972   -0.2524    0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075    0.4681   -0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    1.5827   -1.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185    0.2018    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733   -0.3730    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1311    1.1611    1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694    1.9249    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    0.7564   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -0.7572   -1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524   -2.0943    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190   -0.4954    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600    0.2894   -0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5059    1.2294    0.6594 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