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
    3.6655    0.9706   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    0.2022    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3656    0.3461   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0467    1.1996   -0.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -0.4778    0.4068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.3283   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718   -1.3069    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1370   -0.4772   -1.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4877    1.0712    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555    1.7257   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6717    0.8614    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -0.5330    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -1.2124    1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9428   -0.8082    0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128   -1.6451    1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1118   -2.2252   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664   -0.8400   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -1.2312   -2.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0576    0.5084   -2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    1.7283   -0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967    1.0629    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059    1.4088    1.2030 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