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
   -1.9416   -1.8784    1.5195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485   -0.5376    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135   -0.2493   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    0.0934   -0.3868 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224    1.3885   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    2.4563    0.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077    1.3326   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -0.1243   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -0.6247    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5838   -0.8072   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147   -2.0545   -0.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6923   -0.7895    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6945    0.4063    1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040   -1.1770   -1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    0.5467   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    1.8767    0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    1.8003   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533    0.0345    0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.6928    0.3337 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