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
   -3.3853    0.9943   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3852    0.5781    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.7114    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196   -0.4501   -0.1657 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031   -0.1811   -1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632   -0.1186   -2.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    0.0104   -1.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -0.1249    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.4156    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5389   -0.6112    2.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694   -0.0065    0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534    0.4045   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9093    1.9301   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511    1.1808    1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -1.3829    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1894   -1.2714   -0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    0.2355   -1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -0.8400    1.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142    0.9491    1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.1690    0.1572 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