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
   -1.2304   -0.9402    3.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244   -0.7380    2.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3596   -0.4811    1.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    0.3594    0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811    1.2467   -0.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3291   -0.0335    0.3268 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0131   -0.7177    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022   -1.2201    1.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353    0.2275   -0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129    0.5619   -2.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8132    0.8188   -3.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1856    0.7487   -3.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    0.4180   -1.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    0.1637   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182   -1.1246    4.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1941   -0.9223    4.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1496    0.1530    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879   -1.4187    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    0.6111   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    1.0767   -4.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438    0.9430   -3.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    0.3618   -1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718   -0.0938    0.2320 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