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
   -4.0584    0.2016   -0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879    0.2724   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    1.3404   -0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    1.3112   -0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2086    0.2439   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021   -0.8243    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863   -0.7759    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.9734    0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.2974   -0.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829    1.2576    0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    2.1555    1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974    1.0457    0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9458    0.0109   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127   -0.4952   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -1.4656   -1.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260    0.9493   -0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048    0.4455    0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -0.8388   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    2.1679   -1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    2.1255   -1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -1.6227    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -2.6217    0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.7131    1.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142   -2.6562    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6522    1.5689    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8963   -0.4071   -0.7262 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