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
   -2.9089    0.0086   -0.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782   -0.0960    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149    0.3123    1.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -0.6594   -0.4190 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -0.7724    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4198    0.5386    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5094    0.9459   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7502   -0.0638    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0580    0.1684   -1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393   -0.9982   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -1.3161   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -1.4526    0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577    1.1520    1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722    0.3364   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530    1.8962    0.0359 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