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
    2.6354    0.5724    1.4263 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9144   -0.0295   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4701    0.0282   -0.0606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910    1.0544   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    2.1638   -0.9592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7602    0.6210   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586   -0.6097    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717   -1.0270    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311   -2.1401    0.8667 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377   -1.0863   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    0.5444   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938    1.1332   -0.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066   -1.2248    0.5188 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