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
   -4.2970   -0.7274    0.2072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656   -0.2915   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447   -0.3277    0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877    0.0227    0.5411 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    1.3182    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.4266    0.5264 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6884    1.1627    0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8151   -0.1524   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5932   -0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   -0.9051    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -2.1732    0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950    0.7071   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791   -1.0446   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -1.3433    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350    0.3512    1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788    1.9835   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443    1.0852    1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8412   -1.5584   -1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    0.0597   -0.9883 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