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
   -2.6036    0.0299    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    0.2148   -0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4938   -0.0098   -0.3845 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606   -1.2617   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   -2.3300   -0.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078   -1.1248   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012    0.3476   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    0.9628    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806    0.9750   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746    2.1958    0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1120   -0.8201    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743   -0.2300    0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4842    0.9212    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867   -0.4193   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244    1.2858   -0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -1.6706    0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -1.5263   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    2.0335    0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    0.4265    0.1515 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