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
    3.7428    0.6663   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    0.3575   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722   -0.9345    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1602   -1.3350   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653   -2.4410   -0.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108   -0.0471   -0.0803 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    0.9336   -0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    2.1811   -0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788    0.0358    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    0.9028    1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072    0.9850    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    0.2006    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2158   -0.6773   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8674   -0.7648   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    1.4612   -1.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6143   -0.0565   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -0.6202    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200   -1.6144   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    1.5262    1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246    1.7035    2.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    0.2880    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8774   -1.3132   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072   -1.4377   -1.2732 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