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
    2.4024    1.0317    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    0.3744    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246   -1.0812   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -1.3183   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718   -2.4395   -0.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373   -0.0823   -0.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614    0.9519    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309    2.1837    0.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    0.1439   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702    0.5730    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3805    2.1099    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831   -1.6200    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5907   -1.3925   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8344    0.1416   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7578    1.0899    0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -0.6663    0.4158 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