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
    4.3166   -0.2856    0.3097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    0.0611    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8261   -0.2645   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3984   -0.0111   -0.4264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469    1.2197   -0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.2281   -1.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129    1.1371   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -0.3235    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729   -0.9416    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195   -0.9805    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282   -2.1788    0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -0.4815    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174    1.1531    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9649   -1.3489   -0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534    0.3080   -1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3918    1.5526   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591    1.5805    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9139   -0.4110    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -2.0132    0.3536 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