Monomers

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

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=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
    2.4038    1.8009    1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    0.8055    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742    0.3126    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277   -0.7324   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.0064   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498   -1.9489   -1.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880   -0.0278   -0.1832 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741    0.0525   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -1.0397    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944   -0.9736    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356    0.1259    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214    1.2070   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385    1.1650   -0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0281    0.1303    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997    0.7536    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6691   -1.2790   -1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263   -1.9175    0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3463   -1.8227    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489    2.0747   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    2.0244   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3096   -0.5332    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3954    1.1326    0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5123   -0.3036   -0.7605 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
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers