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
    3.3343   -1.2692   -0.0510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7842   -0.4185   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232    0.9032    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1807    1.1982    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    2.3339    0.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -0.0303   -0.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -1.0464   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -2.2808   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877   -0.2116   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    1.6435    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    0.5378    0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2619   -1.2026    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -0.1572   -1.0318 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