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
   -2.2985    1.0595   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996   -0.2381   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2564   -0.0740   -0.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067    0.9156    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692    1.7940    1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496    0.7581    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436   -0.2684   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727   -0.8393   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830   -1.8177   -1.4103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3985   -0.7478   -0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114   -0.5804    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685    1.5239   -1.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004    1.7501    0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    0.9770   -0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -1.0858   -0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    1.3949    1.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0184   -0.7161    0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844   -0.0204   -1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555   -1.7761   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9059    0.2233    1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -0.7069    1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880   -1.5254    1.5436 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