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
   -3.5893   -2.2596   -0.9840 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4244   -1.0905   -0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853   -1.5849   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531   -0.5920   -0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -0.4727    1.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -1.4178    2.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.9248    1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    1.2447    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405    2.0481   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171    0.4695   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    0.6752   -2.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -0.9255    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039   -0.0952   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397   -1.6682   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8912   -2.5246   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    0.9667    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1346    1.5404    1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5029    2.1721   -1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563    2.5895    0.2793 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