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
    2.6298   -1.7197   -0.8080 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    0.0581   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8654    0.5615    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4941    0.1460    0.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1042   -1.0035    1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -1.7469    1.8926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -1.1812    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293    0.2003    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328    0.7178   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677    0.8968   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696    2.0070   -0.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    0.4117   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789    0.4093   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916    1.6665    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    0.1703    1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399   -1.8424   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1817   -1.5748    1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    1.7473   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    0.0759    0.1753 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