Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
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

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.5060   -0.7976   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3154   -0.2494    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010    1.1336    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704    1.2287    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    2.3039    0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -0.0359   -0.1083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477   -0.9598   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664   -2.1933   -0.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402   -0.3219   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -1.8263   -0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -0.2040    0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346    1.2652    1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5528    1.8875   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    0.2830    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7881   -0.1283   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -1.3854   -0.0579 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
  7  2  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers