Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
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

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.5966   -0.3057   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158   -0.2203   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616   -1.0538    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842   -0.9529    0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198   -0.0480    0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713    0.7940   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    0.6962   -0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921    0.0264    0.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8654   -0.4743    1.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -0.8443    2.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3146   -0.5151    1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    0.4953   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836    1.1189   -0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262    0.6246   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883    1.2000   -1.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7489   -0.9705   -1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0384    0.6767   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0660   -0.7527    0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0390   -1.7890    1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -1.6306    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485    1.5446   -1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    1.3454   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190   -1.5118    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245   -0.2200    1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4262    0.9294    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3592    1.8376   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers