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
    2.5256    0.0055    1.5270 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8981    0.0980   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    0.0869   -0.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    1.1711    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906    2.3727    0.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7711    0.5756    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170   -0.7367   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165   -1.1160   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329   -2.2934   -0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -0.8071   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980    0.9837   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7067    1.1298    0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5267   -1.4702   -0.0119 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