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
    4.0750    0.1186   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942    0.0577   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929   -0.4576   -1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.5375   -1.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711   -0.1204   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    0.3776    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354    0.4782    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765    0.8285    1.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -0.2023   -0.3526 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597   -1.4173   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8210   -2.5376   -0.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738   -1.1003   -0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8810    0.2055   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5679    0.8329   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227    2.0516   -0.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814    0.5126   -1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035   -0.8982   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4497    0.7701    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.7855   -2.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839   -0.9264   -2.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133    0.8758    1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640    0.6443    2.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438    1.9473    1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.4325    1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523   -1.8370   -0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8690    0.6867   -0.3048 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