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
    2.5043   -0.7014    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208   -0.1651    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347    1.2700    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    1.1771    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2474    2.0976    0.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305   -0.1004   -0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.9319   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -2.1584   -0.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341   -0.4785   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6598   -1.7627    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -0.0496    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    1.7960   -0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885    1.7451    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.4161   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -0.6929    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831    0.3712   -0.8654 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