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
    3.2833    1.3218    0.1325 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.4399    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023   -0.8474   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.1505   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688   -2.2840   -0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.0740    0.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    1.0717    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1936    2.2815    0.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619    0.1776    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -1.5858   -0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773    1.0461    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.2369   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409   -0.7819    0.5488 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