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
    2.7152    0.2232   -0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -0.7903   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940   -1.1303    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640   -2.2273    1.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0203   -0.4034    0.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701    0.8224   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    1.1531   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581   -0.1190    0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2176   -0.8519    1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -1.6846    1.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859    1.0210   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    0.3156   -1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683   -1.5266   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822    0.7078   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.6812    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387    1.8574    0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263    1.5913   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1498    0.0563    1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7649   -0.6959   -0.4560 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