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
   -2.5714   -0.0521    1.6269 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    0.2800   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    0.0770   -0.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2267   -1.1233   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -2.2053   -0.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607   -0.8869   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166    0.3830    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336    1.0493    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    2.2520    0.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.3600   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006    1.3745   -0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493   -1.6347   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802    0.8464    0.2072 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