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
    2.4820    1.0474   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626   -0.0961   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441   -1.0983    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027   -0.7129    0.0141 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166   -0.9762   -1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -1.6072   -2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335   -0.3978   -1.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    0.1959    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127    0.0229    0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044    0.4701    2.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950    0.9049    0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.7157   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805    1.3696   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -0.3412    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791   -2.1073   -0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177   -1.2062    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215   -0.4313   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025    1.3313   -0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646    1.7110    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    0.2059    1.1924 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