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
    3.5052   -0.5923   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923   -0.0783   -0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.8395    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -1.9833    0.5645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673   -0.3278    0.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    0.9731   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.2453    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -0.1432    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -1.0104    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898   -2.1566    1.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7262   -1.5694    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3678   -0.0376   -0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165    0.9045   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    0.8907   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    1.7335   -0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803    1.9755   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296    1.5210    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600   -0.2436    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8676   -0.2615   -0.7136 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