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
    2.9960    0.2932    0.2333 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076   -0.1270   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -0.8020   -1.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    0.2654    0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -0.1401   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980    0.3833    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811   -0.4683    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822   -0.3904    0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088    1.3321    0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    0.8167    0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -1.2341   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971    0.2753   -1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285    1.4380    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.5467    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145   -0.0954    1.2871 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