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
    3.4051    0.0571    0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410    0.6874    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085    0.2798   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -0.1272   -0.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394   -1.4178   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -2.4608   -0.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819   -1.3149    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772   -0.0601   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    0.7186   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044    1.9568   -0.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    0.4460    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8416   -0.7572    0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    0.3036    1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    1.4991    1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584   -0.5479   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6872    1.1429   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -2.1511    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0755   -0.3942   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320    0.9686    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6067    1.1713   -0.7780 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