Monomers

1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-

Identifiers

IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
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
    1.5014   -1.1197    1.9712 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -0.6120    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -0.4989    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067    0.1057   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    0.4121   -1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    0.9808   -2.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -0.0411   -0.0764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674    0.0283    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217    1.1941    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.4209    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3971    1.2483    0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1714    0.1391    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443   -1.0322   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -1.0564   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227   -2.3286   -0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -0.8572    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138    0.3101   -1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643    2.7468   -0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    3.2701    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4171    2.2744    1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143    2.1780    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2602    0.1548    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1613   -1.9185   -0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400   -2.3963   -1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404   -3.2159   -0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -2.3866   -0.3522 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
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 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