Monomers

Allylurea

Identifiers

IUPAC name
prop-2-enylurea
InchI
InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InchI Key
VPJDULFXCAQHRC-UHFFFAOYSA-N
SMILES
NC(=O)NCC=C
Canonical SMILES
C=CCNC(=O)N
Isomeric SMILES
C=CCNC(=O)N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H8N2O
Heavy Atom Count
7
Molecular Weight
100.121
Exact Molecular Weight
100.0637
Valence Electrons
40
Radical Electrons
0
tPSA
55.12
MolLogP
-0.1593
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.6361   -0.3128    0.9636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    0.3746    0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170    1.1727    1.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833    0.1496   -0.5628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4428    0.8236   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951    0.4625    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151   -0.1326   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1282   -0.8530    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -0.2564    1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1902   -0.5179   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918    0.5282   -1.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497    1.9310   -0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284    0.6948    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078   -0.3758   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3739   -0.3928    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers