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
   -4.0122    0.7566   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332    0.5581   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659    1.2545   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129    1.0891   -1.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657    0.2065   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   -0.4902    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703   -0.3102    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418   -1.4475    1.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.0284   -0.1370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -1.0931   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8748   -2.1055   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.8578   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648    0.2848    0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6176    0.8815    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    1.9937    1.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992    1.7387   -0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5233    0.7245    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   -0.0338   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633    1.9429   -1.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778    1.6373   -1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452   -0.8561    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.9330    2.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413   -1.8532    1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -2.2994    1.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607   -1.5305   -0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.7137    0.6420 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