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
    3.5454   -0.4920   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105   -0.0379   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1846   -0.8138    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4382   -1.9567    0.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -0.3069    0.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026    0.9840   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9878    0.9558   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4974   -0.1040    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882   -0.9729    0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112   -2.1060    1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    0.1202   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946   -1.4629    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.9440   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    1.7369    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650    1.2261   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3936    1.9504   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    0.7316   -1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987    0.3565    1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2721   -0.7525    0.1050 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