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
    3.5305   -0.4370   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -0.1291   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -0.5299    0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -1.1731    1.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -0.2226    0.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    0.5016   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286    0.5324   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.3371    0.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -0.5834    1.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910   -1.5136    2.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3463   -0.1516   -0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930   -0.9919    0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    0.4191   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -0.0450   -1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5156   -0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335   -0.2883   -1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011    1.4920   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2953   -0.0576    1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976    1.3253    1.4932 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