Monomers

N-Tert-butylacrylamide

Identifiers

IUPAC name
N-tert-butylprop-2-enamide
InchI
InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InchI Key
XFHJDMUEHUHAJW-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(C)(C)C
Canonical SMILES
CC(C)(C)NC(=O)C=C
Isomeric SMILES
CC(C)(C)NC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO
Heavy Atom Count
9
Molecular Weight
127.187
Exact Molecular Weight
127.0997
Valence Electrons
52
Radical Electrons
0
tPSA
29.1
MolLogP
1.0871
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.2909    0.2270    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -0.8660    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -0.8728    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524   -1.9316    0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    0.2583    0.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    0.1912   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -0.8221   -1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335   -0.2183    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917    1.5569   -0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486    1.1697    0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    0.2109    1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9868   -1.7677    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026    1.1551   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263   -0.3920   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -0.9429   -2.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -1.7549   -0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    0.2459    1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099   -1.3002    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7787    0.1696    0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6222    1.9661   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957    2.2406    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404    1.4772   -1.3196 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
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers