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
    3.5861    1.2779    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    0.3837    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220    0.4966    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681    1.4818    0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393   -0.4681   -0.2812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -0.3653   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.3317    1.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.8883   -0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6043   -1.5772   -0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6507    1.1628    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891    2.1403    1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -0.4676   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720   -1.2821   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -0.6246    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893    0.6567    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -1.1396    1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839    0.6199   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    1.6912   -0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    1.2053   -1.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -1.3105   -1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914   -2.1270   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053   -2.3107   -1.1594 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