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
    3.5683    0.4213   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810    0.2770   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -0.0848    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892   -0.2672    1.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -0.2479    0.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518   -0.6109    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509   -0.0610    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.3168   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301   -0.1012   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996   -0.3053   -2.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    0.2746    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    0.6927   -1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9334    0.4330   -1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -1.7160    1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855   -0.2872    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228    0.8461    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -0.8188    0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -0.1923   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1472    1.4311   -0.9227 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