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
   -2.4501   -0.6711   -1.4349 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084    0.1264    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.1059    0.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4496    1.0471   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122    2.1154   -1.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    0.5251   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259   -0.6417    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -0.9759    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -2.0045    1.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165    1.1565    0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934   -0.5071    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6859    1.0288   -0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -1.3048    0.6748 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