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
    3.3353    0.9763    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -0.1140    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   -0.4946   -0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554   -0.5343   -0.4021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369   -1.6422    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -2.7835    0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -1.1941    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9450    0.0831    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6816    0.5384   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.6951   -0.8139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    0.9399    0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090    1.2418    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046    1.6313   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328   -0.7290    1.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    0.2387   -1.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385   -1.5368   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904   -1.7875    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776    1.8304    1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075    0.3878    0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5957    1.2533   -0.5851 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