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
   -2.4978    0.7493    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2855    0.2563    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.1860   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -1.2648   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -2.3660   -0.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211    0.0632   -0.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367    1.0052    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0826    2.2637    0.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    0.4029   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321    0.0716    0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    1.8035    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257   -1.6755    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4120   -1.6328   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078    0.7437    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606   -0.4590   -0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330    1.2246   -0.7661 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