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
    3.2740   -1.3573    0.1098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7383   -0.4743    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936    0.8352   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1801    1.1854   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    2.3645   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162   -0.0480    0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4265   -1.1039    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606   -2.3494    0.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -0.1317    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.5385   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062   -0.0365   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739    0.6794    0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163   -1.1019    0.4353 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