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
    2.9945    0.3693    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076   -0.7696    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478   -1.1209    0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -2.3731    0.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304   -0.3909   -0.1653 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -0.9781   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3308    0.2010   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496    1.4101   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689    0.9021   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    1.4395   -1.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    1.2274    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723    0.4649    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.5803    0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -1.5059   -1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411   -1.6000    0.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664    0.2791   -1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018    0.1127    0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211    1.6311    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339    2.2815   -0.6652 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