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
    3.5875   -0.0634    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505    0.6154    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056    0.5936   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758    0.0477   -0.5953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1610   -1.3033   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604   -2.2824   -1.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -1.3742   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.1542   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.7858   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869    2.0428   -0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3839    0.2299    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658   -0.6184   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694   -0.1019    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558    1.1825    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    0.0065   -1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556    1.6617   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887   -2.2721   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    0.8751   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123   -0.6598    0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764    0.7886    1.3477 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