Monomers

Maleimide, N-chloromethyl-

Identifiers

IUPAC name
1-(chloromethyl)pyrrole-2,5-dione
InchI
InChI=1S/C5H4ClNO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2
InchI Key
SMQIAQVRHOQLKW-UHFFFAOYSA-N
SMILES
ClCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCl
Isomeric SMILES
C1=CC(=O)N(C1=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H4ClNO2
Heavy Atom Count
9
Molecular Weight
145.545
Exact Molecular Weight
144.9931
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
0.1077
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

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.2859   -0.4821    1.8153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    0.0466    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    0.0523    0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4508    1.1246    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    2.2527    0.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    0.6210   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -0.6277   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -1.0641   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1807   -2.1819   -0.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.6932   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    1.0680   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6945    1.1681    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4948   -1.2843   -0.7300 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  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8  3  1  0
  2 10  1  0
  2 11  1  0
  6 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers