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
    1.7452    0.7083    1.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121    0.0566    0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240   -0.4269    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -1.0547   -0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -1.0303   -1.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734   -1.5563   -2.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440   -0.3265   -0.1407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.0072   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.9214    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -2.3308    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -0.4309    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0057    0.9075    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    1.8212    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902    1.3853   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001    2.3724   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1606   -0.2748    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.5214   -1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -2.8100   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079   -2.6544    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -2.8705    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4579   -1.2005    0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486    1.2208    0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    2.8867    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538    2.9261    0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277    1.9461   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1057    3.1713   -0.9913 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