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
    3.7568    1.2233   -0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    0.4433   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -1.0284   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -1.3094   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.3601   -1.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4646   -0.2004   -0.1468 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149    0.8990    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002    2.0626    0.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9668   -0.0989    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    0.2688   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1677    0.3675   -0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7452    0.0894    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9411   -0.2821    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687   -0.3716    1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7160    0.7826   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    2.2949   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -1.5304    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169   -1.4137   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566    0.4958   -2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7973    0.6589   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8189    0.1718    0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187   -0.4948    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.6680    2.0698 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