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
    2.8877   -1.2583   -1.6236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -0.4656   -0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.8369   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672    1.1343   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4302    2.2847   -0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.0780    0.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -1.0893   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3605   -2.3142    0.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596   -0.1702    1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8868    1.5804   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.7603    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940   -1.0744    1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -0.1466    0.3501 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