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
   -2.6631    0.3778   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -0.8569    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481   -0.4068    0.1800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072    0.0508    1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395    0.4259    2.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657    0.0190    1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7513    0.1566   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    0.6282   -1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727   -0.3464   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2466   -0.6778   -2.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8468    0.3257   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    1.3075    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111    0.3826    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -1.3135    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889   -1.6174   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -0.9811    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925    0.8482    1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    0.9617   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    0.7159   -2.1695 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