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
    4.0854   -0.2662   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -0.1183   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148    0.5840   -1.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430    0.7302   -1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1997    0.1856   -0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -0.5166    0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578   -0.6619    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3089   -1.1083    1.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130    0.3241   -0.2184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389   -0.5260   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140   -1.5833   -1.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491    0.0546   -0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342    1.1830    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2988    1.3937    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7676    2.3746    1.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644    0.7549   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3906   -0.8047   -1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4428   -0.8097    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    1.0101   -2.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055    1.2798   -2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930   -1.2193    1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -2.1970    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672   -0.5757    1.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3055   -0.9518    2.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116   -0.3644   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5298    1.8284    0.6862 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