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
   -2.6479    0.1615    1.4771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    0.1322   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842    0.0371   -0.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -1.1396   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -2.3172   -0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221   -0.7520    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    0.5666    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1099   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    2.3298   -0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2763    1.0408   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2894   -0.8052   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -1.4589    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    1.0951    0.0965 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