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
   -2.7426    0.0938   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683    0.4401    0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4111    0.0179    0.5268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2528   -1.1796    0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2464   -2.1549    1.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -1.1526    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7600    0.1769   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519    0.6761   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057    0.8567   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765    2.0359   -0.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944   -0.0520   -1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507   -0.7987    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764    0.9244   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777    1.5353    1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -0.0534    1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367   -1.9515   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -1.2110    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457    1.6766   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672    0.1202   -0.9789 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