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
    3.6376    1.3447    0.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465    0.6049    0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617   -0.4876   -0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.4814   -1.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -0.8263   -2.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652   -0.0146   -0.1502 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    0.6596    0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8302    1.2406    1.8944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -0.1621   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791    0.9462   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    0.8148   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7606   -0.4311   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506   -1.5480   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -1.3955   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303    2.1095    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415    1.1901    0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549   -0.3361   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -1.4397    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3326    1.9292   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8227    1.6725   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8224   -0.5877   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -2.5410   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9132   -2.2610   -0.1057 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