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
    3.1183    0.5604   -1.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -0.1835   -0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7110    0.4575    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451   -0.0237    0.7735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -1.0855    1.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -1.8245    2.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -1.1350    1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9269   -0.1803    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7091    0.5450   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    1.5299   -0.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    0.1270   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    1.6459   -1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603    0.1508   -1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -1.2541   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6843    1.5474    0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    0.3205    1.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -1.8330    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660    0.9513    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    0.4760   -1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8616   -0.7919   -0.4341 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