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
   -3.8769    0.9397   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460    0.2802   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031   -1.1673    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356   -1.3675    0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801   -2.5111    0.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -0.1547    0.0465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156    0.8545   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393    2.0756   -0.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -0.0027   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873    1.2332    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    1.3753    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024    0.3019   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164   -0.9337   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209   -1.0829   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8393    0.4142    0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8589    2.0076   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9193   -1.7088   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -1.5637    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518    2.0809    0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029    2.3710    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979    0.4219   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154   -1.7965   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747   -2.0671   -0.3467 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