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
   -3.1705    1.4642    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756    0.3461    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -0.9639    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652   -1.9927    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076   -1.7442    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266   -0.4375    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8284    0.5778    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025   -0.1083    0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.5061   -0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372   -1.2882   -1.8565 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    0.1268   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8762    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364    0.7563    0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515    1.3261    1.8985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051    2.3951    0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4838    1.7063   -0.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0169    1.1930    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6544   -1.2029    0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734   -3.0354    0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -2.5470    0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4519    1.6009    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593   -0.0116   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932    1.4693    1.1436 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