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
   -3.2975    0.6586   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    0.0071    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -1.0516   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446   -0.6537    0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838   -0.9284    1.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409   -1.5718    2.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -0.3225    1.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956    0.2654    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908    0.0902   -0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869    0.5124   -1.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494    0.9887   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852    1.4270   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230    0.4215   -1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    0.2493    1.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782   -1.1297   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192   -2.0368    0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -0.3775    2.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152    0.3542    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136    1.9108    0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    1.1868   -1.2231 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