Monomers

1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3,5-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InchI Key
PECLZIRCLUPWGS-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1cc(C)cc(c1)C
Canonical SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=CC(=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
    2.4135   -0.2962    2.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -0.4376    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -0.6959    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9352   -0.7851   -0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5406   -0.5882   -1.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677   -0.6020   -2.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.3708   -0.1687 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794   -0.1360   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715   -1.1315   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9229   -0.8699    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9486   -1.9459    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393    0.4411    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4129    1.4632    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452    1.1746   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    2.8842    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9179   -0.7980    0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951   -0.9760   -1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130   -2.1501   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -2.9108   -0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414   -1.9733    1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231   -1.7079   -0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003    0.6798    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6285    2.0118   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103    3.0051    0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    3.1971   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415    3.5182    0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 14 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers