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
    4.3477    0.5163   -0.0977 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6204    0.6728    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596   -0.3335   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4365   -0.3071   -0.1574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -1.0671    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788   -1.6256    1.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003   -1.0937    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714    0.2113   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9272    0.9881   -0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613    0.4990   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777    1.3207   -1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    0.4384    1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.7051    0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -0.0814   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -1.3375   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -1.8771   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535   -1.2250    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    0.6878    0.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8989    1.9085   -0.8205 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