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
    3.4849    0.5564    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355    0.2059    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    0.5043   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    1.1012   -1.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878    0.1301   -0.7127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -0.5588    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440   -0.9529    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.1203   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094    0.3645   -1.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9383    0.7167   -2.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    1.0588   -0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947    0.3378    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -0.2941    1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398    0.1519    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -1.4485    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.9075    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0285   -1.9242   -0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052    1.0739   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562   -0.2359   -1.7113 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