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
   -1.8513    2.4833   -0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965    1.3379   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193    1.0583   -0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9598   -0.2482   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641   -0.9228   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -2.1508   -0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.0862   -0.1529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784   -0.0134   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -0.3538    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -0.4548    1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5279   -0.2203    0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382    0.1222   -1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    0.2228   -1.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076   -0.3396    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402    1.7607   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9109   -0.7520   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3234   -0.5510    2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721   -0.7218    2.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780    0.3084   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    0.4864   -2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4838   -0.5119   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    0.5869    0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   -1.2125    0.9889 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