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
    1.5519    1.8131   -1.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297    1.0039   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    0.8216   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1849   -0.0790    0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114   -0.5153    1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.3687    1.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    0.1753    0.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070   -0.0086   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824    1.0174    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8118    2.3592    0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371    0.7379    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091   -0.4972   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -1.4842   -0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8336   -1.2866   -0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852   -2.3320   -0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    1.2952   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0774   -0.4057    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7513    2.9216    0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247    2.9739   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    2.3501    1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3294    1.5511    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1588   -0.7054   -0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -2.4811   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811   -1.9072   -0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -3.1340    0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -2.8152   -1.6823 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