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
    3.8507    0.9916   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.2948   -0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -1.1651   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -1.3013    0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -2.2658    1.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -0.1453   -0.0523 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.8590   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091    2.0025   -0.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9522   -0.0315   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    1.1550    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9608    1.2772    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491    0.2301   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377   -0.9608   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613   -1.0755   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013    0.5146   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    2.0801   -0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.5846   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819   -1.6438    0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427    1.9860    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4163    2.2033    0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8127    0.3627   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -1.7440   -0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3541   -2.0392   -0.7863 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