Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
    3.9541    1.0101    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.6822    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    1.7582    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056    1.5172    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2525    0.2398   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -0.8222    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -0.6008    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313   -2.2264    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    0.0724   -0.1259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404    0.2168    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3426    0.5198    2.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9751   -0.0351    0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181   -0.3189   -0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -0.2666   -1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9163   -0.4887   -2.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.6557   -0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937    1.5812    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5214    0.0657    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    2.7866    0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    2.3333   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948   -1.4215    0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472   -2.2882   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061   -2.5566    1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859   -2.8781   -0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8919    0.0109    0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6491   -0.5467   -1.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers