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
    3.2585   -1.3925   -0.0844 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7597   -0.4549   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6109    0.8493   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004    1.2118    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    2.3752    0.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294   -0.0062    0.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -1.0484   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -2.3006   -0.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9781   -0.1691    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462    1.5629   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142    0.6920   -0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3440   -0.2378    1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -1.0817   -0.4973 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