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
   -2.6008    0.5392    1.4355 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692    0.4189   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548    0.1051   -0.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147    1.0385    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    2.2887   -0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    0.2802    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6136   -1.0075    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643   -1.1766   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4767   -2.2774   -0.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -0.4306   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385    1.3585   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282    0.7087    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -1.8457    0.1192 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