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
    2.3909    2.1109    0.1475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7415    0.4430   -0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8821   -0.5214    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681   -0.3446    0.1478 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.9797   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -1.6464   -1.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -0.7705   -0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001    0.2733    0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986    0.9139    0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4626    0.4113    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.1063    1.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994    0.2602   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849    0.4521   -1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1056   -0.4232    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579   -1.5608    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2099   -1.7121   -0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284   -0.4068   -1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8508    0.7391    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480    1.6556    1.4492 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