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
   -1.9979    1.2326    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    0.5153    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2297    0.0056    0.2480 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119   -0.9864    1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -1.5712    1.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -1.1476    1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804   -0.3302    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436    0.4187   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    1.2942   -1.3585 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4765   -0.1682   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -0.5268   -0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    1.6827    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488    2.1141    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.5422    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880    1.2773   -0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313   -1.8547    1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.8987   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623   -0.8435    0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -0.3248   -1.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189   -1.0683   -1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4302    0.0240   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8701   -1.1835    0.3850 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