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
    2.9312    0.6331   -0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -0.2070    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -0.5514    0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -1.4899    1.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0506   -0.0624    0.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -0.5930    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.5615   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081    0.5009   -1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    1.0008   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565    2.1376   -0.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    1.2755   -1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273    0.7388   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469   -0.7714    0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -1.6227    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -0.0008    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2045   -1.5693   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2804   -0.3409   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014    1.3621   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574    0.1214   -2.0969 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