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
   -2.4206    1.0664    1.5021 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099    0.2338    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681    0.0541   -0.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594   -1.0599    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449   -2.0818    1.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671   -0.8376    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    0.3218   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842    0.9511   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    2.0677   -1.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    0.8226   -0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3807   -0.7752   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   -1.5432    0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    0.7801   -0.7233 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