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
   -2.9356    0.1314   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162   -0.8410   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -1.0128    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928   -2.1881    0.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -0.2058    0.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -0.6323    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.0816    0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    1.1660   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1982    1.1312    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695    2.0752    0.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    0.0770   -1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    1.0340   -1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430   -1.7018   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334   -0.3339    2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762   -1.7153    0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0826    0.5336    0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797   -0.5862   -0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    2.1590   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922    0.8282   -1.5693 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