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
    2.6963    0.9243   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -0.2214   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -0.8414   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557   -2.0120    0.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072   -0.4552   -0.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -1.2068    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2626   -0.2437    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195    1.0931    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    0.6509   -0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    1.1785   -1.7774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    1.6779   -1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    1.1972   -1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -0.8388   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684   -2.1098    0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526   -1.4044    1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963   -0.4573   -0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7906   -0.2041    1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    1.8258   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1295    1.4471    1.2615 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