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
   -2.3490    1.1639    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543    0.4376   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1156   -1.0413   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348   -1.2160    0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -2.1606    1.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882   -0.0909    0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0872    0.9581   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709    2.1044   -0.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501   -0.0377   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035    2.2220    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    0.6793    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8996   -1.5628    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595   -1.3334   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973   -0.6400    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -0.4852   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7943    1.0025    0.1081 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