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
   -2.5042   -0.3350    1.5652 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9508    0.0104   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    0.0122   -0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741   -1.0972   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -2.2899   -0.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572   -0.6561   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7118    0.6376    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687    1.1323    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    2.2872    0.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408    1.0398   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628   -0.7709   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -1.2450   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    1.2746    0.2554 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