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
    2.5805    0.1843   -1.4245 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9231    0.1263    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    0.0035    0.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -1.1804    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468   -2.3675    0.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6852   -0.7745   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716    0.5414   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303    1.0859    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1531    2.3258    0.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    1.0859    0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -0.6916    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409   -1.4277   -0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179    1.0886   -0.1884 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