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
    3.8948    0.8495    0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    0.3025    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770   -0.9543   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588   -0.9238   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432   -1.6131   -1.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182   -0.0507    0.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674    0.7053    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    1.6020    1.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9979    0.0152    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460    1.1190    0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    1.1794    0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7471    0.0988    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1554   -1.0167   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -1.0578   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520    0.3819    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358    1.7358    1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.8754   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -1.8277    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733    1.9647    1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5182    2.0470    1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8460    0.1240    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911   -1.8827   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2786   -1.9231   -0.7408 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