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
    4.0537   -0.4325   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710   -0.3537   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -1.0703   -1.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757   -0.9836   -1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -0.1777   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734    0.5359    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    0.4535    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454    1.4084    1.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669   -0.0846   -0.1684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186    1.0300   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    2.1973   -0.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9037    0.5928   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109   -0.6903    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484   -1.1844    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -2.3667    0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976    0.3827    0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -0.5154   -1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895   -1.3866   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -1.6995   -2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2507   -1.5560   -1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6070    1.0163    1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    2.4667    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729    1.4751    2.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895    1.0449    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8154    1.1971   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7873   -1.2992    0.3082 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