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
    2.5906   -0.2051    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.1121    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770   -0.4937    0.1415 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -0.5768   -1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659   -0.9466   -2.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -0.1350   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    0.7056   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    1.6619   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309    0.2930    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426    0.5936    2.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045   -0.8276    0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5571    0.5962    0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.3134    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -1.4290    1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -2.0563    0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148   -0.9789   -1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791    0.4864   -2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    2.1826    0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    1.9283   -0.9423 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