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
   -4.0430   -0.5869   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537   -0.5479   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -1.5748    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4742   -1.4635    0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   -0.3341    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385    0.6863   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.5975   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211    1.9251   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -0.2005    0.2871 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5446    0.0717   -0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030    0.2453   -1.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8891    0.1245   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -0.0933    1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -0.3038    1.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -0.5413    2.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840   -1.3671    0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3977    0.4337    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2085   -0.7744   -1.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3649   -2.4815    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821   -2.2870    0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.4351   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334    2.7973   -0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975    2.1174   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215    1.9182   -1.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8065    0.3127   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -0.1091    1.7493 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