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
   -4.3668   -0.0956    0.2256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443   -0.2340    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.2443   -0.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124    0.2084   -0.2557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    1.2921    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    2.3232    0.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7987    1.0308    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308   -0.4417   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8462   -1.2649   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -0.8403   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1058   -1.9353   -1.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -1.2505    1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117    0.4651    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -0.3768   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    1.2816   -0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.2065    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    1.5803   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119   -2.2999   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129   -0.8934    0.1311 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