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
    0.9910    0.4440   -2.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330    0.1912   -1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.0674   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147   -0.2051    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0424   -0.2783    0.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8644   -0.5228    1.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035   -0.0289   -0.2211 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -0.0119    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -1.1659    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -2.4421   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -1.1366    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341    0.0666    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776    1.2257    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    1.1893    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941    2.4189    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8023    0.1875   -2.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860   -0.3487    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -2.2491   -1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074   -2.6824    0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -3.2411   -0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0711   -2.0568    0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846    0.1529    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490    2.1675    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    2.1791    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    2.9370   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869    3.1425    1.1083 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