Monomers

1-(2-Chloroethyl)-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-(2-chloroethyl)-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H8ClNO2/c1-5-4-6(10)9(3-2-8)7(5)11/h1-4H2
InchI Key
RQMCNOJWPMUAKJ-UHFFFAOYSA-N
SMILES
ClCCN1C(=O)CC(=C)C1=O
Canonical SMILES
C=C1CC(=O)N(C1=O)CCCl
Isomeric SMILES
C=C1CC(=O)N(C1=O)CCCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8ClNO2
Heavy Atom Count
11
Molecular Weight
173.599
Exact Molecular Weight
173.0244
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.5403
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.3735    0.1096    0.0838 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6787   -0.2551    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8096    0.2758   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    0.0385   -0.3289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3634   -1.0787   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309   -2.0368   -1.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229   -1.0058   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980    0.3792    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9144    0.9564    0.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551    0.9330    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488    2.0520    0.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221   -1.3508    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    0.2830    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228    1.3739   -0.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507   -0.1677   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273   -1.2103   -0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980   -1.7186    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8573    0.4360    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9332    1.9865    1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  2  0
 10  4  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers