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
   -3.9455    0.9794    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4936    0.7237    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323    1.7780   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803    1.5544   -0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    0.2832   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.7297    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576   -0.5136    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -2.1111    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    0.0598   -0.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -0.2506    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452   -0.3651    1.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413   -0.3932    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885   -0.1870   -1.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    0.1042   -1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.3485   -2.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535    0.5497    1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    2.0773    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5389    0.5173   -0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230    2.7846   -0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346    2.3432   -0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258   -1.3462    0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -2.7391   -0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -2.4485    1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561   -2.1762    0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -0.6248    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565   -0.2181   -1.9624 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