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
    3.3370    1.1639    0.0931 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    0.3926    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805   -0.8985   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560   -1.1599   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557   -2.3040   -0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.0640    0.0159 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    1.0660    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561    2.2869    0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9935    0.2347    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541   -1.6236   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -0.1906    1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141   -0.3508   -0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    1.3191   -0.0250 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