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
    3.4620    0.4112   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357   -0.0422    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3663   -0.8202    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536   -1.2465    1.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038   -0.9104    1.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912   -0.1386    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    0.2703   -0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5017    0.1583   -0.1672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    0.1999   -1.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1398   -0.0251   -2.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522    0.5244   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8121    0.6842   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925    0.4646    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    0.5334    1.8156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019   -0.3773   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2197    0.6828    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    1.3205   -1.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659   -1.0493    1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3559   -1.8368    2.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768   -1.2451    1.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8789    0.8790   -1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    0.6263   -2.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8519    0.9366   -0.0755 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