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
   -2.4303    0.7131    1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -0.1557    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614   -0.9018   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023   -0.6088   -0.1401 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671   -1.2938    0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -2.2572    1.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6941   -0.6844    0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142    0.2903   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    0.3930   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508    1.2351   -1.6055 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    1.1517   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1515    1.2598    1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    0.8837    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8044   -0.2987    0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941   -0.7548   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339   -1.9863   -0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.9960    1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7217    0.5064   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367    1.5705    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    1.9340   -1.0439 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