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
    2.6738    0.2288   -1.2140 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8802    0.0410    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4495   -0.0560    0.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852    1.1032    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0324    2.3052    0.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    0.6497   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7154   -0.6822   -0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -1.1686   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -2.3540   -0.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298   -0.9133    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397    0.8748    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6088    1.2809   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -1.3094   -0.4969 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