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
   -2.6054   -0.2361    1.5551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273    0.1765   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829    0.0461   -0.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006   -1.1204   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2117   -2.2062   -0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7063   -0.7628   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350    0.5000    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823    1.0418    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005    2.2356    0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2212    1.1933   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012   -0.5165   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563   -1.4060   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    1.0547    0.3243 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