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
    2.6062   -0.1351    1.9742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7614    0.3267    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194   -0.4329   -0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399   -0.2646   -0.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528   -1.1149    0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -2.0042    1.3688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842   -0.8266    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    0.4397   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    1.2071   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175    0.6693   -0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849    1.5773   -1.6037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957    0.0688   -0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728    1.4143    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   -0.1726   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -1.5054   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202   -0.6842    1.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -1.5951    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222    2.0895   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864    0.9430    0.2013 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