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
    2.5922    0.8991    0.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.3302    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    0.5029    1.3931 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597   -0.4664   -0.6641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549   -1.0369   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.0705   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870    0.1874    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    1.8193    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.3746   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153   -0.6375   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.7962    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -1.5592   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842    0.8027   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855    1.0194    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.5099    1.5258 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