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
    1.6548    0.5075    2.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    0.4183    0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    0.5451    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965    0.3846   -0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953    0.1370   -1.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -0.0626   -2.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004    0.1653   -0.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126   -0.0353    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816    1.0301    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    2.3942   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307    0.7992    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934   -0.4925    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.5656    0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -1.3399    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -2.4773    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902    0.7436    0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    0.4273   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    2.4718    0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053    3.1405    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933    2.6168   -1.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    1.6605    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1511   -0.6657    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5687   -2.5832    0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -2.9870   -0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140   -2.0673    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401   -3.1652    1.0431 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