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
   -2.3259    1.0932    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6855   -0.1257    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -1.2170    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -0.7213   -0.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -0.6443   -1.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -1.0243   -2.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.0731   -1.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    0.1854   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -0.1975    0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6289   -0.0968    2.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204    0.7740    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0398    1.9147    0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    1.3414   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743   -0.3426    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -2.0875   -0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686   -1.6026    1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734    0.0983   -2.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180   -0.0732    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426    1.3593    1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4251    1.4398   -0.4107 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