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
   -2.6586    1.3908    0.4734 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -0.3854    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348   -0.9334   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233   -0.3285   -0.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557    0.8854   -0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275    1.5525   -1.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    1.2589   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078    0.0795    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442   -0.0733    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.8364    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744   -1.8897    1.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864   -0.8490    0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -0.5932    1.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079   -0.6541   -1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603   -2.0219   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    1.5217   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725    2.1414    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7783    0.6930    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   -0.9584    1.1722 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