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
    3.8929    0.6714    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.1289    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -1.3256   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794   -1.4066    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741   -2.3302    1.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111   -0.1859    0.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    0.7732   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    1.9955   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9934    0.0346   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765    1.3026    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8313    1.5476    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050    0.5123   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2242   -0.7650   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8776   -0.9832   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7573    0.0136    0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0687    1.7041    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3281   -1.5081   -1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673   -1.9865    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    2.1593    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    2.5711    0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739    0.6678   -0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8741   -1.6138   -0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419   -1.9768   -0.4341 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