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
   -3.9524   -0.1988    0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    0.1858    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280    1.5075   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    1.5694   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2718    2.6203    0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    0.2439    0.0209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -0.6342    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009   -1.8897    0.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.1466    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -0.5460    1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9306   -0.9194    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.9017   -0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371   -0.5016   -1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067   -0.1315   -1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040    0.4661    0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802   -1.2032    0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529    2.3364   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2876    1.4397   -1.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293   -0.5602    2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823   -1.2267    2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144   -1.2047   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107   -0.4922   -2.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    0.1873   -2.0597 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