Monomers

2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-

Identifiers

IUPAC name
1-prop-2-enoylpyrrolidin-2-one
InchI
InChI=1S/C7H9NO2/c1-2-6(9)8-5-3-4-7(8)10/h2H,1,3-5H2
InchI Key
DGPVNNMFVYYVDF-UHFFFAOYSA-N
SMILES
C=CC(=O)N1CCCC1=O
Canonical SMILES
C=CC(=O)N1CCCC1=O
Isomeric SMILES
C=CC(=O)N1CCCC1=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
    3.6368   -0.0551    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    0.3218    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2703   -0.6120    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840   -1.8489    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0753   -0.1883    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -1.0863    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3491   -0.3738   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0577    1.0778   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105    1.1210    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    2.1807    0.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711   -1.1217    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383    0.6367    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.3767    0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -1.2023    1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -2.0351   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237   -0.6734   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3227   -0.6619    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2721    1.6935   -0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    1.4507    0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers