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
    2.3697    1.5312    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.4054    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418   -0.5223   -0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191   -1.5765   -1.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330   -0.4147   -0.3264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6268    0.6469    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677    0.2868   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429   -1.2179    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117   -1.4324   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6051   -2.2959   -1.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    2.1193    0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    1.9710    0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5863    0.1187   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006    1.6413   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4987    0.6834    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    0.5474   -1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587    0.7390    0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -1.6874   -0.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294   -1.5434    1.0992 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