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
    2.5631    1.7042    0.7593 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    0.5505   -0.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367   -0.6894   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -0.4045   -0.1538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005   -0.3620   -1.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3093   -0.3945   -2.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910   -0.2634   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849    0.1069    0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6143    0.5585    1.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2879   -0.1198    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.0801    2.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248    0.2124   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    0.9851   -1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259   -1.3772   -1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -1.2016    0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4123   -1.2375   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.5115   -1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6337    0.6873    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002    0.8135    2.6075 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