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
2.8359 0.5802 -0.3214 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 -0.1987 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0079 -1.2055 0.9291 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1117 -0.0366 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6006 -0.7402 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9844 -0.3886 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4185 0.6163 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6241 0.1010 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8628 1.6108 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2203 0.9447 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3491 -1.7994 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4356 -0.6753 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7601 -1.0415 0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4719 0.7971 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7173 1.2874 -0.9118 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