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
    2.7467    0.8308   -0.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    0.1015    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -0.3439    1.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -0.1343   -0.7316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -0.8900   -0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3528   -0.2004    0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137    0.2239    0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126    0.8080   -1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    1.4237    0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    0.2503   -1.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844   -1.9331   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -0.9147   -1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -0.0172    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292    0.0692   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600    0.7261    1.3473 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