Monomers

3-Chloro-1-methyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-methylpyrrole-2,5-dione
InchI
InChI=1S/C5H4ClNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3
InchI Key
VCJAXUAZKWUPSH-UHFFFAOYSA-N
SMILES
ClC1=CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)C=C(C1=O)Cl
Isomeric SMILES
CN1C(=O)C=C(C1=O)Cl
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
   -3.1824   -1.5945   -0.1277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7463   -0.5730   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719    0.7180    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2841    1.1774    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    2.3524    0.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353    0.0496   -0.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3725   -1.0568   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070   -2.2555   -0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842   -0.0465   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121    1.3931    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816   -0.4297   -1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.9534    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938   -0.6878    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  3 10  1  0
  9 11  1  0
  9 12  1  0
  9 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers