Monomers

1-Ethyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-ethyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h2-4H2,1H3
InchI Key
BMZZOWWYEBTMBX-UHFFFAOYSA-N
SMILES
CCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.7200    0.0264    0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -0.5260   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.2807   -0.0505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -1.1793    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575   -2.0613    1.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266   -0.8622    0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7720    0.6069    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    1.5122    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    0.8333   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    1.8259   -1.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1858    0.9644    0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401    0.1830    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5627   -0.6893    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048   -0.0471   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -1.6039   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029   -1.3178   -0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806   -1.1575    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    2.5490    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072    1.2241    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  9 10  2  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers