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
   -3.5661   -0.3383    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311    0.0361   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676    0.9847    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    0.4151    0.4865 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824   -0.3129    1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.5674    2.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377   -0.6702    1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -0.2127   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640    0.4731   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993    1.0475   -1.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.3723   -0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7235    0.0377    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2711   -1.0374    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -0.3627   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892    1.8998   -0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.3228    1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389   -1.2255    1.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418    0.1919   -1.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901   -1.4258   -1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.1167   -0.3076 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