Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.3582    1.0645    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2283    0.1293    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507   -1.2143   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4198   -2.1201   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392   -1.6689   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1609   -0.3232    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.5330    0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    0.1006    0.2077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.3991    1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576   -1.3414    1.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    0.3546    0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206    1.2669   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    1.1525   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320    1.8865   -1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032    0.4700    0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565    1.5840    1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4234    1.7580   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698   -1.5850   -0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -3.1612   -0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -2.3198   -0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    1.5905    0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    0.2444    1.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1877    1.9982   -0.6143 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
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers