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
   -2.4406    1.1492    1.4367 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308   -0.0863    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    0.0582   -0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938   -0.0829   -0.5127 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745   -1.2864   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.3393   -1.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -1.0162    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    0.4374    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    1.0486    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407    0.9960   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585    2.2208    0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4938   -1.0756    0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7681   -0.1415   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9450    1.0127   -1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9437   -0.7479   -1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -1.1316    1.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -1.6310    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868    0.5096    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9607    2.1062    0.2665 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