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
    2.4035    0.6898    1.9702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6320   -0.5313    0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8883   -0.1955   -0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.0864   -0.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -1.1841   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043   -2.4199   -0.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8177   -0.6892   -0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    0.6737    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189    1.3996    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3183    1.0536   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502    2.2134    0.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   -0.5331    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3598   -1.5297    1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    0.7469   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -0.9754   -1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289   -1.3759    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1754   -0.6677   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5738    2.3941    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7289    1.0169    0.5144 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