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
    3.2492    1.0323    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.0530    0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012   -0.4669   -0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -0.5145   -0.3454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.6410    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755   -2.7930    0.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.2013    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    0.0479   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394    0.5547   -0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717    1.7365   -0.8816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781    0.8859   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    1.6248   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8253    1.3265    1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269   -0.7044    1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0580   -1.4893   -0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790    0.1870   -1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5701   -1.8528    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0700    0.2616   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321    1.3629    1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0896    1.6959   -0.7377 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