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
    2.8219   -1.0703    1.2084 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6774    0.5343    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695    0.5187   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306    0.0785   -0.3728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -1.2684   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014   -2.2727   -0.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969   -1.3345    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    0.0802    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560    0.4789    0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    0.9010    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    2.1596    0.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185    1.2981    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830    0.8379    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1979   -0.0808   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7223    1.5764   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694   -1.9107   -0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -1.8050    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8279   -0.2504    0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    1.5293    0.7022 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