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
    1.7282    0.8608   -2.3986 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5495    0.4057   -0.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -0.7812   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631   -0.3991    0.0616 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    0.1966    1.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980    0.1381    2.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678    0.8754    0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -0.0504   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0864   -0.3611   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390   -0.5743   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   -1.0659   -1.9921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    1.2900   -0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    0.1706   -1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8715   -1.5953   -0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -1.0145    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841    1.8070    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    1.0293    1.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    0.1195    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -1.0511   -1.1176 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