Monomers

2,5-Pyrrolidinedione, 1-(4-chlorophenyl)-3-methylene-

Identifiers

IUPAC name
1-(4-chlorophenyl)-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C11H8ClNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-5H,1,6H2
InchI Key
QTVOBMUYSKKMBK-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H8ClNO2
Heavy Atom Count
15
Molecular Weight
221.643
Exact Molecular Weight
221.0244
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
2.1595
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.4309   -0.0988    0.2343 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7145   -0.0279    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.1488   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092    1.1890   -0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351    0.0607   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.1350   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -1.1562    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4742    0.0687   -0.5091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2194    0.7394   -1.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    1.0018   -2.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936    1.0176   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888   -0.2853   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8711   -1.0052   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538   -0.5812    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2771   -1.2850    1.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    2.0341   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    2.1136   -0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531   -2.0650    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506   -2.0797    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3389    1.2014   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257    1.8213   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8337   -0.7527   -0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7959   -1.9245    0.4777 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
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 13 22  1  0
 13 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers