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
    3.5593   -0.0975    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    0.2355    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2882   -0.5340   -0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6685   -1.5162   -0.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.2525   -0.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -1.0213   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.0418   -0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.6383    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    0.7971    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1466    1.6930    1.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3588    0.4608    0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228   -0.9413   -0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    1.0816    1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -1.4055   -1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -1.7884   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192    0.8003   -1.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924   -0.3474   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7259    1.5832    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -0.1536    1.1774 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