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
    3.7448   -1.1593    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -0.4282    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064    1.0486    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934    1.4371    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383    2.6318    0.1229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441    0.2568    0.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945   -0.8922    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -2.1046    0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.1237    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -0.3169   -0.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053   -0.4851   -1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7199   -0.1950   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1832    0.2457    1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8088    0.4062    1.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7394   -0.7516    0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472   -2.2513    0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173    1.4032    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    1.4659   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612   -0.5330   -1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3183   -0.8345   -2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931   -0.3028   -0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831    0.4796    1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    0.7560    2.1861 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