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
    2.7274    0.9120    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704   -0.0391   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289   -0.7100   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -1.6308   -1.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468   -0.5034    0.1059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446   -1.1719   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479    0.0358   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341    0.8165    0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266    0.1974    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796    0.2903    2.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    1.3103    0.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    1.3815    1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445   -0.3826   -0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790   -1.4624   -1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -1.9683    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886   -0.3163    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1536    0.6043   -1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3449    0.7601    1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933    1.8767    0.6898 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