Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=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
    3.8688   -0.2371    0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205   -0.1717    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -0.1193   -1.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336    0.0188   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6426    0.1521   -2.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154   -0.0230   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652   -0.1373    0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -0.2010    2.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935    0.0451   -0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390   -1.0962   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284   -1.0237   -0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7389    0.2016   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9854    1.3399    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6223    1.2491    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020   -0.2560    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133   -0.2737    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9855   -1.0372   -1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    0.8078   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216   -2.0860   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7571   -1.9075   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8330    0.2716    0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612    2.2938    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577    2.1900    0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  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
  3 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