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
   -4.3870   -0.0917   -0.1877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6561   -0.0629   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603   -0.1678    0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294   -0.1553    0.3668 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -1.3094    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -2.5023    0.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205   -0.9247   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166    0.5362    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    1.2456    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    0.9564    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070    2.1606    0.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    0.8845   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -0.8842   -1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440   -1.0655    1.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1603    0.7062    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8684   -0.9898   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -1.4223    0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854    2.2823    0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    0.8042   -0.1589 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