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
    3.5554   -0.0947   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571   -0.1451   -0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054    0.0904    0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.3534    1.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819    0.0323    0.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166   -0.2592   -0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1046    0.2992   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3743   -0.1031    0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713    0.2469    1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9324    0.6491    2.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    0.1333    0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.2730   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650   -0.3639   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891    0.1709   -1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -1.3529   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0986    1.4166   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433   -0.1300   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303   -1.1808    0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.5106    1.0888 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