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
    1.1089   -0.6753   -2.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799   -0.1737   -1.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795    0.1980   -1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331    0.6701   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833    0.6447    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    1.0173    1.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837    0.0962   -0.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -0.0954    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9440   -1.3405    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491   -2.5198    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -1.4477    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -0.3471    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237    0.9215    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    1.0241    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5596    2.3615    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    0.0850   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    1.0348    0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717   -2.3695    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -2.7393   -1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4665   -3.4451    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -2.4288    0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1282   -0.4532    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066    1.8285    0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1889    2.8084    0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570    3.0165   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    2.3288   -0.6971 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