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
    2.9973    0.7305   -0.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8672   -0.1047    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585   -1.3345    0.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    0.3640    0.0931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699   -0.5256    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781    0.1301    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7679   -0.3050   -0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9797    1.7417    0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746    0.2795   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358    1.3502   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492   -0.9582    1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -1.3548   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610    0.9774    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7564    0.1614   -0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -1.1520   -1.2855 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