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
    4.0829   -0.4241    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -0.3410   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -1.4636   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699   -1.4258   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -0.2672   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057    0.8555    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958    0.8148    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    2.1347    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -0.2936   -0.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4716    0.1564   -1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.6755   -2.2946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8725   -0.0567   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745   -0.6049    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5109   -0.7870    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002   -1.2757    2.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -1.0906    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -0.9203   -0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151    0.5575    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032   -2.3849   -0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462   -2.3441   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    1.7028    0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8464    2.0548    1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048    2.4896   -0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    2.9247    0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7464    0.1888   -1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7869   -0.8755    0.9863 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