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
    3.0367   -0.1260    0.3546 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412   -0.2967   -0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8882   -0.5814   -1.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -0.1579    0.1819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -0.3268   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8282   -0.1058    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189    0.8433    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8857    0.2885   -0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -0.3986    1.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235    0.0777    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758    0.3997   -1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467   -1.3370   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519   -0.7425    1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421    0.9855    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6084    1.4781   -0.7030 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