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
   -2.7022    0.2668    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -0.5711   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4376   -0.2026   -0.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807    0.7349   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    1.2969   -2.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269    0.9819   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7886   -0.1717    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   -0.5889    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774   -0.7736    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -1.6523    1.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0332    1.2093   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2693    0.4358    1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6344   -0.3297    0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -1.6209   -0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1618   -0.4199   -1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    0.9669   -1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.9554   -0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506   -1.4396    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314   -0.0777    0.4780 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