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
    3.8378    0.2161    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473    0.2041    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -0.0140   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984   -0.6594   -1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9651   -1.5307   -1.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528   -0.1312   -0.0786 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3559    0.4108    0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756    0.9791    1.9699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641   -0.0887   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925    0.3110    1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776    0.3714    1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140    0.0300   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -0.3742   -1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7219   -0.4298   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7664    0.0519    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701    0.3892    2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    0.9583   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491   -0.6643   -1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1642    0.5843    1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619    0.6939    1.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020    0.0743   -0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6758   -0.6430   -2.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -0.7392   -2.0153 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