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
   -3.3381    0.4604    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4626   -0.5056    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -0.5830   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2511   -0.5270   -0.4737 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532   -1.5819   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -2.8000   -0.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9603   -0.9827    0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8954    0.3340    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    0.6702   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110    1.8595   -0.5513 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    1.2916    0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255    0.5232    1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4735    1.2228   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3283   -1.2709    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817   -1.4957   -1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785    0.3118   -1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459   -1.5411    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600    0.8365   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0614    1.5203    1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330    2.2576   -0.2893 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