Monomers

1-Isopropyl-3-methyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-propan-2-ylpyrrole-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-5(2)9-7(10)4-6(3)8(9)11/h4-5H,1-3H3
InchI Key
CFQLUSSNTFQXIU-UHFFFAOYSA-N
SMILES
CC(N1C(=O)C=C(C1=O)C)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C(C)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7099
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

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.0568    0.8981    1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064   -0.2550    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2551   -0.3909    0.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -1.4890    0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   -2.5412    1.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -1.1778    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065    0.0027   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641    0.5389   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456    1.6542   -0.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    0.6083   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -0.1257   -0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744    1.2356    1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    1.6755    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    0.5287    2.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -1.1710    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7665   -1.8329    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008   -0.2241   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    1.2431   -1.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    1.1986    0.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887   -0.7475   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -0.5348   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6751    0.9062   -1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
  2 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers