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
-2.9882 0.6873 -0.0894 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8547 0.0232 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 -0.6771 1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 0.0915 -0.1804 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5698 -0.6188 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7699 -0.3860 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8622 0.1902 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8905 1.5016 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9423 0.3662 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4797 0.6599 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 -1.7131 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6932 -0.2929 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7525 -0.6958 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9192 0.5178 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7261 0.3460 -0.5703 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