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
   -4.0983    0.4808   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228    0.3968   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    1.4194    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5314    1.3727    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100    0.3240    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5081   -0.6961   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8938   -0.6555   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -1.8278   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6139    0.2370    0.2562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474   -0.1460    1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.4727    2.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791   -0.1185    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.2577   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6041    0.4910   -0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    0.8592   -1.9111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5687   -0.3655    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4443    0.5355   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4452    1.4112    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031    2.2449    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192    2.1821    1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -1.4730   -1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040   -2.7823   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617   -1.6207   -0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -2.0577   -2.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849   -0.3582    1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886    0.3618   -0.6447 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