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
    3.1347   -1.6747   -0.2159 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -0.6563   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.6381    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308    1.1595    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234    2.3544    0.3221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    0.0486   -0.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.0835   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779   -2.2739   -0.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0136    0.0685   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    1.2561    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026    0.7228   -0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -0.9784   -0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.4189    1.0010 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