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
   -2.6086   -0.1276   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7521   -0.8976    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4132   -0.3019    0.2514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342    0.7151    1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.4939    1.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    0.6358    1.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271    0.2236   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935    0.5073   -0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -0.6414   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7465   -1.4976   -1.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9322    0.4421   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2576   -0.8347   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.5846   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2324   -0.9883    1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -1.9182   -0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -0.2253    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142    1.5580    1.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.1484   -0.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.1238   -1.8064 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