Monomers

2-Methyl-N-phenylmaleimide

Identifiers

IUPAC name
3-methyl-1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InchI Key
QAVUFFJVZGZJMO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
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
1.5061
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
    4.0506   -0.2297   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.1678    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    1.1838    0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    1.2396    0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    2.0946    1.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3249    0.1904    0.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -0.4870   -0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.4855   -1.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -0.0422   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -0.4679    1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -0.6967    0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445   -0.5136   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0814   -0.0878   -1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294    0.1395   -1.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3876   -1.0068    0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338   -0.6585   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    0.6579   -0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0395    1.8267    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3656   -0.6281    2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8001   -1.0342    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9056   -0.6925   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140    0.0532   -2.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.4772   -2.0867 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers