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
    3.8531    0.1748   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590   -0.1960    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    0.0841   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    0.6918   -1.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492   -0.3264    0.4441 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -0.0757   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950    1.3829   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.7462   -1.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512   -0.5925    0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645    0.7074   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8085   -0.0552    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8283   -0.7222    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -0.8327    1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837    1.9408    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5187    1.4084   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946    1.8266   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.6585   -1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9702   -1.8149   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.1494   -2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -1.6729    1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794   -0.0960    1.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904   -0.2783    0.7439 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