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
    4.0786   -0.3004   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5936   -0.3369   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960   -1.5499   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -1.5733   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2045   -0.4070   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565    0.8144   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    0.8288   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    2.1149   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318   -0.3806   -0.1598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -0.8169   -1.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.3247   -2.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8814   -0.5745   -0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253   -0.0352    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403    0.1192    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0088    0.6014    2.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    0.3216   -0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4181    0.2263    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4674   -1.3318   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -2.4679   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.5268   -0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    1.7481   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2765    2.5708    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    2.8266   -0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    1.9991   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7871   -0.8086   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6787    0.2634    1.1078 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