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
   -2.5734   -0.5651    1.5232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391    0.1272    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827    0.0345   -0.0247 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -1.0181   -0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1284   -2.0916   -1.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -0.7016   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947    0.4663    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.9957    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    2.0730    0.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -0.2654   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628    1.2287    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -1.3123   -0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    1.0289    0.4501 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