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
   -4.0367   -0.8105    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703   -0.5980    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.5971    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773   -1.4470    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -0.3051    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811    0.6829   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    0.5482   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471    1.9269   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6361   -0.0875    0.1842 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    0.3861    1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    0.7075    2.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854    0.4296    0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666    0.0118   -0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959   -0.3254   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -0.7549   -2.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6347    0.0893    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2713   -1.3726   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2817   -1.5189    0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -2.5081    1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -2.2364    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6102    1.3136   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5059    2.2486   -1.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598    2.7284   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    1.7869   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419    0.7538    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648   -0.0521   -1.2013 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