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
    3.8940   -0.8307    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -0.2223    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    1.2452   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682    1.4323    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5507    2.6023    0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201    0.1704    0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911   -0.8449    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -2.1018    0.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0023   -0.0329    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400   -1.1665    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908   -1.3317    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7128   -0.3880    0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369    0.7684   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557    0.9129   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8152   -0.2745    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -1.9048    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877    1.7970    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616    1.5203   -1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -1.9074    1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -2.2571    1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -0.5386    0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9108    1.5215   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548    1.8308   -0.8667 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