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
    2.4403   -0.0584    0.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -0.5537    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -1.7852    0.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    0.3559   -0.5735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -0.0725   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817   -0.5210   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7068   -0.4878    0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.2381    1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3049    0.0004    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646    1.3421   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -0.9049   -1.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    0.7882   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941   -0.8996   -0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5391   -0.8333    1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -0.0990    1.4049 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