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
    4.0607    0.5333   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876    0.4293   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740    1.5296    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    1.4311    0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    0.2594    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -0.8259   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951   -0.7378   -0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2156   -2.0950   -0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003    0.2429    0.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592    0.2833   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140    0.3383   -2.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9147    0.2498   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8092    0.1944    1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785    0.1874    1.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816    0.1410    2.6238 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559    1.5978   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397   -0.1154    0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310    0.1687   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    2.4482    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    2.3128    0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119   -1.6167   -0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038   -2.5139    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4979   -2.9067   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -1.9605   -1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8630    0.2669   -0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6074    0.1579    1.8238 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