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
   -3.3315    0.9049   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467   -0.1504   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -0.4978    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.4855    0.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -1.5887   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -2.7525   -0.3213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -1.1341   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148    0.1419   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    0.6240    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363    1.7621    0.8231 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.9495   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268    1.5183    0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9766    1.1349   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170   -0.7987   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9123   -1.5137    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977    0.2066    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857   -1.7982   -0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    0.9788   -1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    0.5087    0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174    1.9899    0.0463 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