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
    1.2219   -0.4762   -2.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235   -0.4236   -1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -0.5888   -0.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609   -0.4680    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473   -0.2072    0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -0.0333    2.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774   -0.1792   -0.1622 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951    0.0497    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052   -0.9707   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -2.3055   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -0.7304    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0881    0.5212    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673    1.5615    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8324    1.2922    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    2.3805    0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -0.7885   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991   -0.5458    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011   -2.5240   -0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840   -3.1309   -0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -2.2638   -1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961   -1.5084   -0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    0.7274    0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345    2.5106    0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    2.0522    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    2.9111    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    3.1377   -0.2114 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