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
    3.0422   -1.0429    0.1007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0548   -1.2580   -1.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892   -0.0234   -1.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997    0.2220   -0.4893 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620    1.0295    0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127    1.3733    1.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    1.3582    1.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5836    0.1898    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219   -0.3036    1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135   -0.2870   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.0553   -1.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365   -2.1168   -1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141   -1.4396   -2.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    0.8300   -1.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685   -0.1530   -2.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648    1.4172    2.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1942    2.2800    0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -1.1445    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9549    0.1241    2.5002 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