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
    2.7578    1.2825   -0.9854 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6746   -0.4256   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174   -0.5787    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -0.1067    0.4544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610    1.2049    0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071    2.1370    1.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    1.3295   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8283   -0.1002   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541   -0.5056   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -0.8921   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5758   -2.1247   -0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692   -0.8489   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608   -0.9869   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929   -0.0437    1.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904   -1.6615    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3029    1.7716   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    1.8888    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2567   -1.5489   -0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8420    0.2092   -0.5136 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