Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.7328
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.1073    0.1629   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6135    0.1521   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.6135   -1.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256    0.6250   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086    0.1592   -0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -0.3034    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811   -0.3065    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2568   -0.7976    1.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139    0.1382   -0.2872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    0.7287    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457    1.4161    1.6417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8923    0.4251    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8654   -0.3146   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4534   -0.5214   -1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -1.1874   -2.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    0.0743    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4837    1.1519   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496   -0.6163   -1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    0.9761   -2.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133    0.9904   -2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -0.6760    1.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617   -1.1525    1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -1.6975    2.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -0.0953    2.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8061    0.7353    0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7449   -0.6802   -1.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers