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
    4.3374    0.2154   -0.5607 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6111   -0.2132   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8603    0.2951    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568    0.0353    0.3399 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646   -1.0942    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084   -2.1899    1.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -0.7947    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574    0.3113   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.7032   -0.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316    0.9083   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    2.0354   -0.7622 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508    0.2338   -1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889   -1.3187   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174    1.4095    0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -0.0840    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9954   -0.4671    1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411   -1.6721    0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8737    0.1729   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9744    1.5134   -1.4213 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