Monomers

3-Methylidene-1-propan-2-ylpyrrolidine-2,5-dione

Identifiers

IUPAC name
3-methylidene-1-propan-2-ylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-5(2)9-7(10)4-6(3)8(9)11/h5H,3-4H2,1-2H3
InchI Key
DBKRPGDEXPANMB-UHFFFAOYSA-N
SMILES
CC(N1C(=O)CC(=C)C1=O)C
Canonical SMILES
CC(C)N1C(=O)CC(=C)C1=O
Isomeric SMILES
CC(C)N1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7099
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.0942    1.4002   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400    0.2658    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318    0.0516    0.1004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -0.3123   -1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629   -0.5521   -2.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707   -0.3804   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989   -0.1290    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652   -0.1693    1.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    0.1618    1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324    0.4705    2.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334   -1.0066    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7638    2.3598   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9009    1.2927   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    1.3399   -0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    0.5396    1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -1.3879   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    0.3701   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2615   -0.3982    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146    0.0312    2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864   -1.4607   -0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432   -1.7210    0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -0.7658    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  9 10  2  0
  2 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers