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
    2.4941    0.4001    2.0058 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7234    0.4772    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -0.5661   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -0.3829   -0.1476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.9353    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1839   -1.5348    1.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7128   -0.7203    0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841    0.3374   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8295    1.0870   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634    0.3998   -0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976    1.0525   -1.9747 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    1.4991   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    0.2856   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -1.5582   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938   -0.6015   -1.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.6375    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -0.4212    1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    1.8354   -1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7851    0.9839   -0.1751 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