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
    2.6258   -1.7412    0.4390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6260    0.0060    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8149    0.7429   -0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182    0.2896   -0.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0926   -0.7936   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097   -1.2501   -2.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -1.2327   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.0650    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622    0.4690    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.8539    0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543    1.8378    1.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    0.4545    0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    0.2073    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    1.8153   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587    0.6206   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0358   -1.7412   -1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239   -1.8590    0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8737   -0.1864    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800    1.4422    0.6634 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