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
    3.5708   -0.0563    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -0.1167    0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505   -0.0717   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    0.0243   -1.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0933   -0.1322   -0.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311   -0.0904   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4346    0.0758   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986    0.4204    1.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -0.2470    1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206   -0.7805    2.2761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    0.0247   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.0917    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.1980    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2892   -1.0264   -1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.7396   -1.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    0.9133   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9974   -0.8830   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926    1.5117    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -0.0159    2.1185 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