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
    2.6431   -1.5826    1.0821 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7135    0.0990    0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8394    0.4077   -0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.1373   -0.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -1.1358   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128   -2.2220   -0.9256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6175   -0.9818   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404    0.2572    0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9556    0.6066    0.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647    0.9833    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    2.1726    0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7684    0.3082    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.8081    1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1943   -0.1439   -1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536    1.4985   -0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -0.8523   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366   -1.8726   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600    1.5409    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270   -0.0286    0.7509 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