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
    4.6076   -0.0805    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -0.0094    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754    0.2619    1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050    0.3306    1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    0.1429   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868   -0.1277   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779   -0.2042   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.2129   -0.0923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9418    1.3508   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    2.5483   -0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3784    0.9734   -0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3664   -0.5125   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -1.2615   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922   -0.9245   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5858   -2.1185   -0.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480   -0.7500    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1035   -0.5315   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188    0.9197    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771    0.4180    2.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219    0.5458    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -0.2873   -2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569   -0.4203   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243    1.3904   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8058    1.2749    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4156   -2.3332   -0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4466   -0.8089   -0.3569 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