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
   -2.6646   -0.1682    1.4809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9400    0.1036   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973    0.0431   -0.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320   -1.1115   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842   -2.2655   -0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370   -0.7408   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    0.5503    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305    1.1030    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    2.2916    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.1251   -0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3054   -0.6833   -0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -1.3906   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7062    1.1433    0.2875 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