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
   -3.4461    0.3633   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202    0.8473   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356    0.2288    0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171   -0.1786    0.5140 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731   -1.4363   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832   -2.4408   -0.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -1.3566   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -0.1743    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559    0.6222    0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508    1.8062    1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997    0.2967   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245   -0.5102   -0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    0.8200   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934    1.7404   -0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252    0.9725    1.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -0.6769    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -2.1815   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889   -0.4426   -0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.2513   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789    0.4491    1.0103 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