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
   -3.5252    0.2651    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3651   -0.4044    1.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -0.7595   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -0.1780   -0.1704 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    1.0710   -0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066    1.9050   -1.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105    1.1996   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908    0.1127    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8857   -0.7808    0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944   -1.9110    0.8646 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313   -0.1256    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9662    0.5592    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0311    0.5170    2.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9387   -0.6901    2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393   -1.8756   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816   -0.4458   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335    2.0244   -0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329    0.4618   -0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    0.2579    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568   -1.2028    0.3114 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