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
    3.4568    0.6452    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541    0.5715    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932   -0.2449   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.8600   -1.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.3649   -0.2585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    0.3043    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    0.5515    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358   -0.8197   -0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271   -1.1144   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5509   -1.8808   -1.9761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    0.1062   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0817    1.2446    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994    1.1260    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -0.3685    1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    1.2555    1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    1.3021   -0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    0.7782    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546   -0.6715   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077   -1.5603    0.0927 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