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
   -2.3265   -0.0185    1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401    0.1043   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    0.4279   -0.3059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5431   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    2.4646   -1.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    1.3983   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    0.3173    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989   -0.3323    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -1.3962    0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -0.1847    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -1.2534   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137   -0.5433    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    0.9633    1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981   -0.6496    1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952    0.8522   -0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    2.1174   -0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962   -0.4705    1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541    0.6044    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -1.1145    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496   -1.3256   -1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -2.0108   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155   -1.4934   -1.1974 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