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
    1.6510   -0.7819    2.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9021   -0.6844    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896   -0.9610    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.7492   -1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289   -0.3227   -1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347   -0.0313   -2.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062   -0.2916   -0.1228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632    0.0674    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852   -0.8542    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440   -2.2922   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178   -0.4639    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344    0.8620    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    1.7995    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041    1.3953    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    2.3994    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0665   -1.2838    0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755   -0.8689   -1.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4268   -2.4795   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -2.6030    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9903   -2.8683   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -1.1768    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465    1.2423    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824    2.8682    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    2.1727    0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    2.4940   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237    3.4117    0.3703 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