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
    2.6545   -0.1378   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502    0.5246    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761    0.1719    0.3001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -0.9010    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5790   -1.7923    1.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -0.8101    1.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8338    0.1357   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210    0.3181   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866    0.8205   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    1.8206   -1.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865    0.3825   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    0.0007   -0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530   -1.1941   -0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589    0.3757    1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9201    1.6306    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -1.7921    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697   -0.3443    2.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0838    1.0308   -1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.2399   -0.3703 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